Geometry & MOs

Info

ID:

299133

PubChem CID:

117672498

Reduced:

NO8C47H59 (1)

Stoich.:

AB8C47D59 (1)

Weight, g/mol:

1051.508191

ΔHf, kcal/mol:

-368.26

Dipole, Da:

4.0

IP(EA), eV:

 -9.44(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-(1,3-benzoxazol-2-yl)-4-[4-[4-(4-butylcyclohexanecarbonyl)oxybenzoyl]oxycyclohexanecarbonyl]oxyphenoxy]carbonylcyclohexyl] 4-(4-butylcyclohexanecarbonyl)oxybenzoate

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)OC2CCC(CC2)OC(=O)C3=C4C=CC(=CC4=C(C=C3)C(=O)OC5CCC(CC5)OC(=O)C6CCC(CC6)CC)C7=CC=NC=C7

DOS

IR

Vibrations