Geometry & MOs

Info

ID:	245577
PubChem CID:	99454077
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	405.160994
ΔH_f, kcal/mol:	-162.5
Dipole, Da:	6.15
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,4-dimethoxyphenyl)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

COCCOC1=NC=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O

DOS

IR

Vibrations