Geometry & MOs

Info

ID:	34771
PubChem CID:	7978919
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	372.187149
ΔH_f, kcal/mol:	-206.11
Dipole, Da:	3.86
IP(EA), eV:	-9.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N'-[2-(2-methylphenyl)sulfanylacetyl]acetohydrazide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)COC(=O)[C@@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations