Geometry & MOs

Info

ID:	244408
PubChem CID:	99350630
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	386.200571
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	4.1
IP(EA), eV:	-7.79(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)C3=CN=C4N(C3=O)C=CS4

DOS

IR

Vibrations