Geometry & MOs

Info

ID:	195479
PubChem CID:	78693083
Reduced:	ClSO2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	325.957121
ΔH_f, kcal/mol:	-4.2
Dipole, Da:	8.16
IP(EA), eV:	-9.43(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2,3-dichlorophenyl)prop-2-enoyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations