Geometry & MOs

Info

ID:

417923

PubChem CID:

135103073

Reduced:

N5O5C29H35 (1)

Stoich.:

A5B5C29D35 (1)

Weight, g/mol:

651.283903

ΔHf, kcal/mol:

-93.98

Dipole, Da:

6.93

IP(EA), eV:

 -8.8(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14S,17S,20R)-20-benzyl-17-[(1R)-1-hydroxyethyl]-8-methyl-14-(2-methylsulfanylethyl)-5-oxa-1,13,16,19,22,25,26-heptazatricyclo[22.2.1.06,11]heptacosa-6(11),7,9,24(27),25-pentaene-12,15,18,21-tetrone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OCCN3C=C(COC4=C(CN5CCOC6(C5)CCN(C2=O)CC6)C=CC=C4OC)N=N3

DOS

IR

Vibrations