Geometry & MOs

Info

ID:	187324
PubChem CID:	77558597
Reduced:	O2N9C21H27 (1)
Stoich.:	A2B9C21D27 (1)
Weight, g/mol:	509.135363
ΔH_f, kcal/mol:	65.55
Dipole, Da:	4.32
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]-2-(2-methylbenzoyl)hydrazinyl]propanoic acid

Drug info:

PubChemData

Smile

CCC1CC(NN1)NC2=CC(=NC(=N2)N3CCCC3C4=CC(=NO4)C5=NC=CN=C5)OC

DOS

IR

Vibrations