Geometry & MOs

Info

ID:	198782
PubChem CID:	79149866
Reduced:	ClSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	332.90483
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	7.29
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromothiophen-2-yl)methylsulfanyl]-2-chloroaniline

Drug info:

PubChemData

Smile

COCCCNC(=O)CSC1=CC(=C(C=C1)N)Cl

DOS

IR

Vibrations