Geometry & MOs

Info

ID:	60445
PubChem CID:	26686382
Reduced:	ClN2O4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	476.153656
ΔH_f, kcal/mol:	-101.35
Dipole, Da:	2.49
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations