Geometry & MOs

Info

ID:	135172
PubChem CID:	51828586
Reduced:	N2O4C31H38 (1)
Stoich.:	A2B4C31D38 (1)
Weight, g/mol:	434.218113
ΔH_f, kcal/mol:	-128.98
Dipole, Da:	4.78
IP(EA), eV:	-8.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-2-(butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations