Geometry & MOs

Info

ID:	392759
PubChem CID:	135017865
Reduced:	O6N15C21H37 (1)
Stoich.:	A6B15C21D37 (1)
Weight, g/mol:	471.111647
ΔH_f, kcal/mol:	-137.3
Dipole, Da:	3.19
IP(EA), eV:	-9.58(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[N-[(4-chlorophenyl)methyl]-2-nitroanilino]butanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCN=[N+]=[N-])C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)C

DOS

IR

Vibrations