Geometry & MOs

Info

ID:

84464

PubChem CID:

49866518

Reduced:

P4N7C20O20H25 (1)

Stoich.:

A4B7C20D20E25 (1)

Weight, g/mol:

394.214409

ΔHf, kcal/mol:

-931.44

Dipole, Da:

6.62

IP(EA), eV:

 -9.19(-2.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-hydroxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O

DOS

IR

Vibrations