Geometry & MOs

Info

ID:	208451
PubChem CID:	80531539
Reduced:	ClNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	349.91678
ΔH_f, kcal/mol:	-28.3
Dipole, Da:	1.79
IP(EA), eV:	-8.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)C(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations