Geometry & MOs

Info

ID:	338316
PubChem CID:	127259008
Reduced:	N4O4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	527.237998
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	6.98
IP(EA), eV:	-9.9(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(4-methyl-2-oxochromen-7-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

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN

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

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):