Geometry & MOs

Info

ID:	34767
PubChem CID:	7978915
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	391.08954
ΔH_f, kcal/mol:	-206.19
Dipole, Da:	4.15
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)acetyl]-5-bromopyridine-3-carbohydrazide

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