Geometry & MOs

Info

ID:	244401
PubChem CID:	99350614
Reduced:	S2N3O5C21H27 (1)
Stoich.:	A2B3C5D21E27 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-147.01
Dipole, Da:	2.78
IP(EA), eV:	-7.87(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2,4-dimethoxyphenyl)-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)C3=C(C=CS3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations