Geometry & MOs

Info

ID:

318985

PubChem CID:

126654055

Reduced:

F4O4N7H23C30 (1)

Stoich.:

A4B4C7D23E30 (1)

Weight, g/mol:

598.10765

ΔHf, kcal/mol:

-173.13

Dipole, Da:

8.44

IP(EA), eV:

 -9.08(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5R)-2-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-(6-bromopyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN4C(=CC=N4)N=C3)CC(=O)N5[C@@H]6C[C@@H]6C[C@H]5C(=O)NC7=C(C(=CC=C7)OC(F)(F)F)F

DOS

IR

Vibrations