Geometry & MOs

Info

ID:	66104
PubChem CID:	46491127
Reduced:	ClN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	4.75
IP(EA), eV:	-9.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NC(C)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations