Geometry & MOs

Info

ID:	244400
PubChem CID:	99350611
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	465.139213
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	2.27
IP(EA), eV:	-8.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CCC(=O)NC[C@@H]3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations