Geometry & MOs

Info

ID:	34820
PubChem CID:	7978970
Reduced:	NSO4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	428.224597
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	2.15
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-[2-(benzylcarbamothioyl)-2-methylhydrazinyl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations