Geometry & MOs

Info

ID:	268490
PubChem CID:	103599608
Reduced:	N3O5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	447.154269
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	5.54
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-[4-(5-nitropyridin-2-yl)piperazin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CCN(CC2)C(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations