Geometry & MOs

Info

ID:	135294
PubChem CID:	51847654
Reduced:	O2N3C30H37 (1)
Stoich.:	A2B3C30D37 (1)
Weight, g/mol:	506.180149
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	2.6
IP(EA), eV:	-8.1(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3,5-dinitro-N-phenylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations