Geometry & MOs

Info

ID:	58001
PubChem CID:	24398191
Reduced:	ClO2N3S3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	463.972598
ΔH_f, kcal/mol:	-8.28
Dipole, Da:	5.22
IP(EA), eV:	-8.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonylmethyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl

DOS

IR

Vibrations