Geometry & MOs

Info

ID:	269487
PubChem CID:	103617697
Reduced:	ClNOBr2S2H8C11 (1)
Stoich.:	ABCD2E2F8G11 (1)
Weight, g/mol:	372.95389
ΔH_f, kcal/mol:	20.51
Dipole, Da:	2.7
IP(EA), eV:	-9.53(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methoxybenzamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)CCNC(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations