Geometry & MOs

Info

ID:	197027
PubChem CID:	78910562
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	318.00772
ΔH_f, kcal/mol:	16.78
Dipole, Da:	2.26
IP(EA), eV:	-8.86(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-1,1-dioxothiolan-3-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCCC2=CC=CC=C2C)C

DOS

IR

Vibrations