Geometry & MOs

Info

ID:	34577
PubChem CID:	7978687
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-110.79
Dipole, Da:	4.92
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-oxo-4-thiophen-2-ylbutanoyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)C)Cl

DOS

IR

Vibrations