Geometry & MOs

Info

ID:	178655
PubChem CID:	76363570
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	2.52
IP(EA), eV:	-8.83(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations