Geometry & MOs

Info

ID:	134673
PubChem CID:	51737751
Reduced:	N3O3C29H39 (1)
Stoich.:	A3B3C29D39 (1)
Weight, g/mol:	441.299142
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	2.26
IP(EA), eV:	-9.28(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(E,2S)-1-(butylamino)-1-oxohept-3-en-2-yl]-cyclohexylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]([C@H](C)C1=CC=CC=C1)N(C2CCCCC2)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations