Geometry & MOs

Info

ID:	424603
PubChem CID:	135123289
Reduced:	SO2N4C17H20 (2)
Stoich.:	AB2C4D17E20 (2)
Weight, g/mol:	200.991821
ΔH_f, kcal/mol:	-19.35
Dipole, Da:	8.02
IP(EA), eV:	-8.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methanethioic S-acid;pyridine-2-carbothioic S-acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)[C@H](CC(=O)NC4=CN=C(N=C4)SC)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations