Geometry & MOs

Info

ID:	205609
PubChem CID:	80125874
Reduced:	ClNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	360.92198
ΔH_f, kcal/mol:	17.27
Dipole, Da:	1.46
IP(EA), eV:	-8.37(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-difluorobenzoyl)amino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSCCNC2=CC=CC=C2Cl)C

DOS

IR

Vibrations