Geometry & MOs

Info

ID:	70691
PubChem CID:	48413728
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	2.91
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations