Geometry & MOs

Info

ID:	152617
PubChem CID:	56311594
Reduced:	N2S2O5C20H24 (1)
Stoich.:	A2B2C5D20E24 (1)
Weight, g/mol:	376.064841
ΔH_f, kcal/mol:	-129.16
Dipole, Da:	2.71
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations