Geometry & MOs

Info

ID:	204696
PubChem CID:	79998776
Reduced:	ClNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	305.052193
ΔH_f, kcal/mol:	-76.07
Dipole, Da:	3.59
IP(EA), eV:	-9.23(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[(2-fluorophenyl)carbamoyl]-3-methylthiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2=CC=CC=C2Cl)/C=C/C(=O)O

DOS

IR

Vibrations