Geometry & MOs

Info

ID:

215079

PubChem CID:

85084112

Reduced:

FO5N10C34H43 (1)

Stoich.:

AB5C10D34E43 (1)

Weight, g/mol:

691.24762

ΔHf, kcal/mol:

-193.04

Dipole, Da:

2.86

IP(EA), eV:

 -8.17(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[[6-acetyloxy-4-[(4-methoxyphenyl)carbamoyl]-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC=C2CC(C(=O)N)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C3C=CCN3C(=O)C(CC4=CC=C(C=C4)F)N

DOS

IR

Vibrations