Geometry & MOs

Info

ID:

190929

PubChem CID:

78077600

Reduced:

O3N5C25H27 (1)

Stoich.:

A3B5C25D27 (1)

Weight, g/mol:

725.443758

ΔHf, kcal/mol:

-52.11

Dipole, Da:

6.23

IP(EA), eV:

 -8.8(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl] 6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoate

Drug info:

PubChemData

Smile

CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=NC=C(C=C3)C(=O)NCCO)NC4=CC=CC=N4

DOS

IR

Vibrations