Geometry & MOs

Info

ID:	61029
PubChem CID:	26704554
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	474.182458
ΔH_f, kcal/mol:	-142.65
Dipole, Da:	4.08
IP(EA), eV:	-8.6(-0.65)
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-(2,3,4-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CC=C(C=C3)N4CCCC4=O)C(=O)N5CCOCC5

DOS

IR

Vibrations