Geometry & MOs

Info

ID:	204920
PubChem CID:	80032107
Reduced:	SN3O4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	254.116293
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	5.4
IP(EA), eV:	-9.03(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(3-methylphenyl)sulfanylmethyl]butane-1-thiol

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)C(=CN(C1=O)C)[N+](=O)[O-])CS

DOS

IR

Vibrations