Geometry & MOs

Info

ID:	61028
PubChem CID:	26704552
Reduced:	SN3O4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	467.187878
ΔH_f, kcal/mol:	-152.65
Dipole, Da:	5.18
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCOCC4

DOS

IR

Vibrations