Geometry & MOs

Info

ID:

334884

PubChem CID:

127253690

Reduced:

N3O4H19C23 (1)

Stoich.:

A3B4C19D23 (1)

Weight, g/mol:

535.221954

ΔHf, kcal/mol:

35.52

Dipole, Da:

5.36

IP(EA), eV:

 -7.48(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-7-nitro-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaen-18-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN5C=CC=N5)OC

DOS

IR

Vibrations