Geometry & MOs

Info

ID:

436410

PubChem CID:

135200492

Reduced:

N3O4C26H33 (1)

Stoich.:

A3B4C26D33 (1)

Weight, g/mol:

538.169558

ΔHf, kcal/mol:

-131.81

Dipole, Da:

4.57

IP(EA), eV:

 -8.95(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxopyrimidin-1-yl]-3,9-dimethyl-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

CC(C=C)C(=O)NC1=CC=CC=C1C2=CC(=NC(=C2)OC)[C@H](CC=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations