Geometry & MOs

Info

ID:	61104
PubChem CID:	26705729
Reduced:	ClSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	485.198442
ΔH_f, kcal/mol:	-170.39
Dipole, Da:	5.36
IP(EA), eV:	-9.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations