Geometry & MOs

Info

ID:

432448

PubChem CID:

135172581

Reduced:

ClO4N8C36H43 (1)

Stoich.:

AB4C8D36E43 (1)

Weight, g/mol:

614.285524

ΔHf, kcal/mol:

-95.81

Dipole, Da:

3.11

IP(EA), eV:

 -8.66(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]-5-[4-[4-(5,5,5-trifluoropentyl)cyclohexen-1-yl]phenyl]phenyl]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCN(C3)CCCCCC(=O)O)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C)Cl

DOS

IR

Vibrations