Geometry & MOs

Info

ID:	60829
PubChem CID:	26702517
Reduced:	ClSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	499.123563
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	7.07
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations