Geometry & MOs

Info

ID:	34752
PubChem CID:	7978897
Reduced:	SN2O2C21H28 (1)
Stoich.:	AB2C2D21E28 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-78.24
Dipole, Da:	2.11
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide

Drug info:

PubChemData

Smile

CSCC1=CC=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations