Geometry & MOs

Info

ID:	135306
PubChem CID:	51849717
Reduced:	N3O6C30H35 (1)
Stoich.:	A3B6C30D35 (1)
Weight, g/mol:	477.189986
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	8.33
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-hydroxy-5-nitro-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)OC)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations