Geometry & MOs

Info

ID:	43377
PubChem CID:	10321201
Reduced:	ON5C27H33 (1)
Stoich.:	AB5C27D33 (1)
Weight, g/mol:	443.234159
ΔH_f, kcal/mol:	23.35
Dipole, Da:	5.18
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-octadec-9-enoyl]-2,5-dioxopyrrolidine-3-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C1CCN(CC1)C)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

DOS

IR

Vibrations