Geometry & MOs

Info

ID:	206860
PubChem CID:	80311901
Reduced:	N2S2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	312.052169
ΔH_f, kcal/mol:	0.4
Dipole, Da:	2.6
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-3-chloroaniline

Drug info:

PubChemData

Smile

CC(CSCC1=NC(=CS1)C(C)(C)C)N

DOS

IR

Vibrations