Geometry & MOs

Info

ID:	373053
PubChem CID:	131309177
Reduced:	ClNOF3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-192.83
Dipole, Da:	4.06
IP(EA), eV:	-9.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-methoxy-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)[C@@H](C(CO)(F)F)N)F

DOS

IR

Vibrations