Geometry & MOs

Info

ID:

299127

PubChem CID:

117671929

Reduced:

N3O3C25H31 (1)

Stoich.:

A3B3C25D31 (1)

Weight, g/mol:

768.517634

ΔHf, kcal/mol:

-102.82

Dipole, Da:

5.01

IP(EA), eV:

 -9.36(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-pent-4-enoyloxy-4a-(pent-4-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pent-4-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)CN)C(=O)NC4CCOC4

DOS

IR

Vibrations