Geometry & MOs

Info

ID:	34751
PubChem CID:	7978896
Reduced:	NSO4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	372.187149
ΔH_f, kcal/mol:	-126.44
Dipole, Da:	3.79
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)acetyl]-4-(methylsulfanylmethyl)benzohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations