Geometry & MOs

Info

ID:	225320
PubChem CID:	85756472
Reduced:	NOH3C4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	520.2897
ΔH_f, kcal/mol:	-1.68
Dipole, Da:	6.26
IP(EA), eV:	-9.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[4-methyl-2-[[4-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=CO2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations