Geometry & MOs

Info

ID:	411065
PubChem CID:	135083875
Reduced:	NO3C5H5 (1)
Stoich.:	AB3C5D5 (1)
Weight, g/mol:	216.039105
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	1.47
IP(EA), eV:	-10.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ,R)-2-methyl-N-(1,3-thiazol-2-ylmethylidene)propane-2-sulfinamide

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)O)/O)/C#N

DOS

IR

Vibrations