Geometry & MOs

Info

ID:

334735

PubChem CID:

127253410

Reduced:

O3N5H17C21 (1)

Stoich.:

A3B5C17D21 (1)

Weight, g/mol:

561.237604

ΔHf, kcal/mol:

-17.77

Dipole, Da:

2.77

IP(EA), eV:

 -9.03(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-nitro-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

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCC(=O)NC5=CNN=C5

DOS

IR

Vibrations