Geometry & MOs

Info

ID:	34542
PubChem CID:	7978644
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-60.95
Dipole, Da:	3.51
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2C#N)Cl

DOS

IR

Vibrations