Geometry & MOs

Info

ID:

51856

PubChem CID:

12014613

Reduced:

O2P2N3S5C31H31 (1)

Stoich.:

A2B2C3D5E31F31 (1)

Weight, g/mol:

365.06266

ΔHf, kcal/mol:

-80.96

Dipole, Da:

9.74

IP(EA), eV:

 -8.45(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,12S,14R)-7-bromo-9-methoxy-3-methyl-11-oxa-3-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraen-14-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)P2(=S)NC3=C(C(=S)N2C4=CC=CC=C4)SC5=NP(=S)(SC6(C35)CCCCC6)C7=CC=C(C=C7)OC

DOS

IR

Vibrations