Geometry & MOs

Info

ID:	340075
PubChem CID:	127262084
Reduced:	O6N8C29H38 (1)
Stoich.:	A6B8C29D38 (1)
Weight, g/mol:	497.238667
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	4.81
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitroanilino)-3-methyl-1-oxobutan-2-yl]benzamide

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

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)C3=CC=CC=C3

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

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):