Geometry & MOs

Info

ID:	279197
PubChem CID:	103841997
Reduced:	BrClNO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	346.97463
ΔH_f, kcal/mol:	-154.04
Dipole, Da:	4.69
IP(EA), eV:	-9.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(thian-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CCC(=O)OC)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations