Geometry & MOs

Info

ID:	132509
PubChem CID:	51372909
Reduced:	OSN3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	324.036425
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.881695
Charge, e:	-1

Chem-info

IUPAC name:

(3,4-dimethylphenyl)-(2-methoxycarbonylthiophen-3-yl)sulfonylazanide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N)C

DOS

IR

Vibrations