Geometry & MOs

Info

ID:	36126
PubChem CID:	7980793
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	5.55
IP(EA), eV:	-8.57(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C

DOS

IR

Vibrations