Geometry & MOs

Info

ID:	189160
PubChem CID:	77823986
Reduced:	O2N4C33H42 (1)
Stoich.:	A2B4C33D42 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	11.52
Dipole, Da:	6.59
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

COCCCN1C=C(C2=CC=CC=C21)CN(C3CC3)C(=O)C4CNCCC4C5=CC=CC(=C5)C#CCCCN

DOS

IR

Vibrations