Geometry & MOs

Info

ID:	155161
PubChem CID:	56320887
Reduced:	ClN3O4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	477.172228
ΔH_f, kcal/mol:	-108.17
Dipole, Da:	4.3
IP(EA), eV:	-8.95(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)NNC(=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations