Geometry & MOs

Info

ID:	34841
PubChem CID:	7978992
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	414.208947
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	3.51
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(benzylcarbamothioyl)-2-methylhydrazinyl]-2-oxoethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations