Geometry & MOs

Info

ID:	223496
PubChem CID:	85335125
Reduced:	SO4N5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	3.94
IP(EA), eV:	-9.12(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(hydroxycarbamoyl)-1-[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)NO

DOS

IR

Vibrations