Geometry & MOs

Info

ID:	268488
PubChem CID:	103599602
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-128.52
Dipole, Da:	8.18
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-[[3-[(5-methylpyridin-2-yl)amino]-3-oxopropyl]amino]-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1CCN(CC1)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations