Geometry & MOs

Info

ID:	340019
PubChem CID:	127262028
Reduced:	N5O6C23H25 (1)
Stoich.:	A5B6C23D25 (1)
Weight, g/mol:	521.223411
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	4.36
IP(EA), eV:	-9.91(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-[(2S)-1-(N-[(2S)-1-amino-1-oxopropan-2-yl]-4-nitroanilino)-3-hydroxy-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCC(=O)N3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCC(=O)N3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):