Geometry & MOs

Info

ID:	331237
PubChem CID:	127248644
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	3.07
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(C2)C3=C(C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations