Geometry & MOs

Info

ID:	244393
PubChem CID:	99350594
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	3.96
IP(EA), eV:	-7.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)C3=C(C=CO3)COC4=CC=CC=C4

DOS

IR

Vibrations