Geometry & MOs

Info

ID:	296349
PubChem CID:	117569571
Reduced:	OSN2C7H16 (1)
Stoich.:	ABC2D7E16 (1)
Weight, g/mol:	187.022248
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	3.18
IP(EA), eV:	-8.82(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-methylanilino)methanethiol

Drug info:

PubChemData

Smile

C1COCCN1CCNCS

DOS

IR

Vibrations