Geometry & MOs

Info

ID:	60048
PubChem CID:	26666925
Reduced:	SN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755664
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations