Geometry & MOs

Info

ID:	383569
PubChem CID:	134975360
Reduced:	NPSO5C24H29 (1)
Stoich.:	ABCD5E24F29 (1)
Weight, g/mol:	384.09662
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	6.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769688
Charge, e:	0

Chem-info

IUPAC name:

methyl-[2-[(methyl-oxo-phenyl-lambda6-sulfanylidene)amino]phenyl]imino-oxo-phenyl-lambda6-sulfane

Drug info:

PubChemData

Smile

CCO[P+]([C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)([C@@H](C3=CC=CC=C3)O)O

DOS

IR

Vibrations