Geometry & MOs

Info

ID:	68390
PubChem CID:	46508323
Reduced:	N2S2O5C20H22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	456.208279
ΔH_f, kcal/mol:	-172.92
Dipole, Da:	8.28
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-benzyl-4-methoxyanilino)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(S2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)C=C1

DOS

IR

Vibrations