Geometry & MOs

Info

ID:	302019
PubChem CID:	123110573
Reduced:	ClNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	547.089008
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	1.88
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-chlorophenyl)-2-[[2-[(3-propan-2-yloxycarbonylphenyl)methylsulfinyl]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=CC(=C1)CS(=O)CC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations