Geometry & MOs

Info

ID:	14895
PubChem CID:	423587
Reduced:	ClNOSC16H24 (1)
Stoich.:	ABCDE16F24 (1)
Weight, g/mol:	313.126713
ΔH_f, kcal/mol:	-62.73
Dipole, Da:	3.72
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-(butylamino)-1-(4-chlorophenyl)-2-methylpropyl] ethanethioate

Drug info:

PubChemData

Smile

CCCCNC(C)(C)C(C1=CC=C(C=C1)Cl)SC(=O)C

DOS

IR

Vibrations