Geometry & MOs

Info

ID:

379455

PubChem CID:

134419539

Reduced:

O9N10C32H44 (1)

Stoich.:

A9B10C32D44 (1)

Weight, g/mol:

460.153072

ΔHf, kcal/mol:

-296.34

Dipole, Da:

7.84

IP(EA), eV:

 -9.19(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,18-dimethyl-17-oxa-3,4-dithiapentacyclo[18.7.1.110,14.06,11.022,27]nonacosa-1(28),6,8,10,12,14(29),20,22,24,26-decaen-18-ol

Drug info:

PubChemData

Smile

CC1(NC(=O)CN1CCOCCOCCOCCNC(=O)CCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)C

DOS

IR

Vibrations