Geometry & MOs

Info

ID:

443842

PubChem CID:

135260149

Reduced:

ClO3F6N7H32C38 (1)

Stoich.:

AB3C6D7E32F38 (1)

Weight, g/mol:

770.164314

ΔHf, kcal/mol:

-238.65

Dipole, Da:

6.14

IP(EA), eV:

 -8.58(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(3-chloro-2H-[1]benzofuro[3,2-c]pyrazol-5-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NN(C2=C(C=CC(=C21)Cl)C3=C(N=C(C=C3)C#CC(C)(C)O)C(CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7C[C@H]7C6(F)F)C(=N5)C(F)F)C

DOS

IR

Vibrations