Geometry & MOs

Info

ID:	268474
PubChem CID:	103599530
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	6.37
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-butan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations