Geometry & MOs

Info

ID:

435751

PubChem CID:

135192329

Reduced:

ClO2N7C29H30 (1)

Stoich.:

AB2C7D29E30 (1)

Weight, g/mol:

651.167619

ΔHf, kcal/mol:

26.87

Dipole, Da:

8.47

IP(EA), eV:

 -8.12(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,14S)-14-[4-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-6-oxopyrimidin-1-yl]-3-(2-hydroxyethyl)-9-methyl-3,4,7,16-tetrazatricyclo[13.3.1.02,6]nonadeca-1(19),2(6),4,15,17-pentaen-8-one

Drug info:

PubChemData

Smile

CC1CCCC(C2=CC=CC(=C2)C3=C(C=NN3C)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N/C=C\N

DOS

IR

Vibrations