Geometry & MOs

Info

ID:	409813
PubChem CID:	135082599
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	362.021741
ΔH_f, kcal/mol:	-31.9
Dipole, Da:	2.77
IP(EA), eV:	-9.23(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(N([C@H](CO1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=C)C

DOS

IR

Vibrations