Geometry & MOs

Info

ID:

449328

PubChem CID:

135297644

Reduced:

F2O2N5H21C24 (1)

Stoich.:

A2B2C5D21E24 (1)

Weight, g/mol:

483.244582

ΔHf, kcal/mol:

-32.75

Dipole, Da:

6.67

IP(EA), eV:

 -9.84(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(8S)-3-(2,6-difluorophenyl)-5-ethyl-7,7,8-trimethyl-5,6-dihydrocinnolin-8-yl]pyrimidin-2-yl]amino]propane-1,3-diol

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1=CN=CC(=N1)[C@@]23CC[C@@H](C2=C)C4=CC(=NN=C34)C5=C(C=CC=C5F)F)O

DOS

IR

Vibrations