Geometry & MOs

Info

ID:

335127

PubChem CID:

127253988

Reduced:

N2O5C25H26 (1)

Stoich.:

A2B5C25D26 (1)

Weight, g/mol:

556.232185

ΔHf, kcal/mol:

-121.51

Dipole, Da:

5.19

IP(EA), eV:

 -8.39(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-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

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5CCOCC5)OC

DOS

IR

Vibrations