Geometry & MOs

Info

ID:	268471
PubChem CID:	103599522
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	2.67
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations