Geometry & MOs

Info

ID:

449989

PubChem CID:

135302996

Reduced:

N2O2C29H38 (1)

Stoich.:

A2B2C29D38 (1)

Weight, g/mol:

439.263506

ΔHf, kcal/mol:

-46.29

Dipole, Da:

3.22

IP(EA), eV:

 -8.4(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-2-(5-fluoropyridin-2-yl)-2-hydroxyethyl]-2-[1-[(3Z)-3-(2-methyl-1H-pyrrol-3-yl)hexa-3,5-dienyl]cyclopropyl]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]([C@H](C)NC(=O)[C@H]2CCC(CCC23CC3)/C(=C/C=C)/C4=C(NC=C4)C)O

DOS

IR

Vibrations