Geometry & MOs

Info

ID:	20471
PubChem CID:	584116
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	2.23
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-butyl 2-(methylamino)benzenecarbothioate

Drug info:

PubChemData

Smile

CCCCSC(=O)C1=CC=CC=C1NC

DOS

IR

Vibrations