Geometry & MOs

Info

ID:

334290

PubChem CID:

127252842

Reduced:

SN5O6C29H35 (1)

Stoich.:

AB5C6D29E35 (1)

Weight, g/mol:

479.16925

ΔHf, kcal/mol:

-135.67

Dipole, Da:

11.19

IP(EA), eV:

 -8.39(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9S)-5-nitro-11-[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)NC4=CC=NN4)OC)OC)OC

DOS

IR

Vibrations