Geometry & MOs

Info

ID:	174855
PubChem CID:	75822680
Reduced:	SN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	12.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.801498
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N=C(C(C2CCCC2)NC(=O)C)[O-]

DOS

IR

Vibrations