Geometry & MOs

Info

ID:	173245
PubChem CID:	75611632
Reduced:	ClN5O6H16C18 (1)
Stoich.:	AB5C6D16E18 (1)
Weight, g/mol:	647.09172
ΔH_f, kcal/mol:	-39.61
Dipole, Da:	3.41
IP(EA), eV:	-9.08(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-iodobenzoate

Drug info:

PubChemData

Smile

CC(=NNC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations