Geometry & MOs

Info

ID:	204695
PubChem CID:	79998582
Reduced:	BrNS2O3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	321.022642
ΔH_f, kcal/mol:	-66.78
Dipole, Da:	5.63
IP(EA), eV:	-8.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNS(=O)(=O)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations