Geometry & MOs

Info

ID:	65183
PubChem CID:	29204581
Reduced:	ClON2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	481.107434
ΔH_f, kcal/mol:	-33.74
Dipole, Da:	4.36
IP(EA), eV:	-9.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)NNC(=O)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations