Geometry & MOs

Info

ID:	244389
PubChem CID:	99350560
Reduced:	O2S2N5C20H23 (1)
Stoich.:	A2B2C5D20E23 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	20.1
Dipole, Da:	3.08
IP(EA), eV:	-7.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2-methoxyphenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)CN3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations