Geometry & MOs

Info

ID:	219367
PubChem CID:	85148325
Reduced:	SN2O4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	476.267508
ΔH_f, kcal/mol:	-83.04
Dipole, Da:	3.92
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,10-dihydroxy-3-methoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)-11H-benzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=CC=CC=C2)C(=O)OC3CCCCC3C4=CC=CC=C4

DOS

IR

Vibrations