Geometry & MOs

Info

ID:	398146
PubChem CID:	135031980
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	163.95212
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	2.85
IP(EA), eV:	-9.42(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorothiophen-2-yl)methanethiol

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@@H](N1)CCC2=CC=CC=C2

DOS

IR

Vibrations