Geometry & MOs

Info

ID:	169637
PubChem CID:	75130183
Reduced:	SO3N7C22H25 (1)
Stoich.:	AB3C7D22E25 (1)
Weight, g/mol:	459.215806
ΔH_f, kcal/mol:	-37.3
Dipole, Da:	5.23
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NCC(=O)NC4CCC5C(C4)NC(=O)N5)C

DOS

IR

Vibrations