Geometry & MOs

Info

ID:	79615
PubChem CID:	49829725
Reduced:	ClN3O6H14C18 (1)
Stoich.:	AB3C6D14E18 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	5.16
IP(EA), eV:	-9.82(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,5-trimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations