Geometry & MOs

Info

ID:	263901
PubChem CID:	103406283
Reduced:	ClNSC17H28 (1)
Stoich.:	ABCD17E28 (1)
Weight, g/mol:	284.97819
ΔH_f, kcal/mol:	-33.15
Dipole, Da:	0.96
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-chlorophenyl)-(3-chloro-4-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCCNC(C1CC(CC(C1)C)C)C2=C(C(=CS2)C)Cl

DOS

IR

Vibrations