Geometry & MOs

Info

ID:	34774
PubChem CID:	7978922
Reduced:	SN2O2C24H28 (1)
Stoich.:	AB2C2D24E28 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	1.2
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)acetyl]-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)CSC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations