Geometry & MOs

Info

ID:	133561
PubChem CID:	51550641
Reduced:	N3O5C22H22 (1)
Stoich.:	A3B5C22D22 (1)
Weight, g/mol:	465.122212
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769014
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(2R)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2CCCN2C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-])OC

DOS

IR

Vibrations