Geometry & MOs

Info

ID:	59387
PubChem CID:	24847740
Reduced:	N2O7C27H34 (1)
Stoich.:	A2B7C27D34 (1)
Weight, g/mol:	493.01605
ΔH_f, kcal/mol:	-259.0
Dipole, Da:	4.36
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;phthalazin-1-ylhydrazine;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC

DOS

IR

Vibrations