Geometry & MOs

Info

ID:	190236
PubChem CID:	77974683
Reduced:	ClO6N7C23H30 (1)
Stoich.:	AB6C7D23E30 (1)
Weight, g/mol:	499.217932
ΔH_f, kcal/mol:	-157.57
Dipole, Da:	10.59
IP(EA), eV:	-9.68(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(2-aminopropanoyl)-N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)N.Cl

DOS

IR

Vibrations