Geometry & MOs

Info

ID:	135149
PubChem CID:	51824739
Reduced:	N2O3C26H38 (1)
Stoich.:	A2B3C26D38 (1)
Weight, g/mol:	392.223056
ΔH_f, kcal/mol:	-124.89
Dipole, Da:	2.05
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(E,2R)-1-(butylamino)-1-oxohept-3-en-2-yl]-3-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)C2=CC=CO2)C(C)(C)C

DOS

IR

Vibrations