Geometry & MOs

Info

ID:	420014
PubChem CID:	135110782
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	372.135508
ΔH_f, kcal/mol:	-4.21
Dipole, Da:	3.83
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-1-(2,4-dimethoxybenzoyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCC4=CSC=C4

DOS

IR

Vibrations