Geometry & MOs

Info

ID:

312860

PubChem CID:

126609266

Reduced:

N2P2O3C17H18 (1)

Stoich.:

A2B2C3D17E18 (1)

Weight, g/mol:

833.193324

ΔHf, kcal/mol:

-77.75

Dipole, Da:

2.99

IP(EA), eV:

-8.43(-0.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[3-[[(12aS)-11-bis(phosphanyl)phosphanyl-8-methoxy-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[[(12aS)-8-methyl-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]phenyl] nitrate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC4=CC=CC=C43)CN2PP)O

DOS

IR

Vibrations