Geometry & MOs

Info

ID:	34618
PubChem CID:	7978740
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	0.6
IP(EA), eV:	-8.84(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(adamantane-1-carbonyl)-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)OCC(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations