Geometry & MOs

Info

ID:	127057
PubChem CID:	50989118
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	196.030649
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	3.83
IP(EA), eV:	-8.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-carbamothioylpyridine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)N)C(=O)OC)SC

DOS

IR

Vibrations