Geometry & MOs

Info

ID:	33541
PubChem CID:	7886918
Reduced:	NSO2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	3.46
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethoxy]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)NCCCC1=CC=C(C=C1)C(=O)CSC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations