Geometry & MOs

Info

ID:	203442
PubChem CID:	79831467
Reduced:	BrNSC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	376.96406
ΔH_f, kcal/mol:	13.58
Dipole, Da:	1.73
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-2-[(3-chlorophenyl)methyl]-5-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C2=NC(=C(S2)C)C3=CC=CC=C3Br

DOS

IR

Vibrations