Geometry & MOs

Info

ID:

334769

PubChem CID:

127253444

Reduced:

ClN2O8C27H27 (1)

Stoich.:

AB2C8D27E27 (1)

Weight, g/mol:

535.221954

ΔHf, kcal/mol:

-275.06

Dipole, Da:

5.57

IP(EA), eV:

 -9.01(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-7-nitro-3-(1,3,4,9-tetrahydropyrido[3,4-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

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC(=C4)C(=O)NCCCC(=O)O

DOS

IR

Vibrations