Geometry & MOs

Info

ID:	135204
PubChem CID:	51834200
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	397.176834
ΔH_f, kcal/mol:	-143.12
Dipole, Da:	2.41
IP(EA), eV:	-8.99(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-2-(butylamino)-1-(2-chloro-5-nitrophenyl)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)O)N(C(=O)CC)C(C)(C)C

DOS

IR

Vibrations