Geometry & MOs

Info

ID:	244440
PubChem CID:	99350871
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-56.46
Dipole, Da:	7.45
IP(EA), eV:	-7.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations