Geometry & MOs

Info

ID:	135109
PubChem CID:	51815130
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-124.82
Dipole, Da:	6.15
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(E,2R)-1-(butylamino)-1-oxopent-3-en-2-yl]-propylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](/C=C\C)N(CCC)C(=O)CNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations