Geometry & MOs

Info

ID:	68824
PubChem CID:	46509164
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	439.129884
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	2.82
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)COC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations