Geometry & MOs

Info

ID:

425938

PubChem CID:

135132662

Reduced:

ClFNO4C22H25 (1)

Stoich.:

ABCD4E22F25 (1)

Weight, g/mol:

1032.410328

ΔHf, kcal/mol:

-189.49

Dipole, Da:

9.25

IP(EA), eV:

-9.13(-1.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-O-[3-acetyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexanecarbonyl]oxyphenyl] 4-O-[3-methoxycarbonyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexanecarbonyl]oxyphenyl] 2-methylpiperazine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C3=C(C(=O)C(=CN13)C(=O)C)F)Cl)OCCCOC

DOS

IR

Vibrations