Geometry & MOs

Info

ID:

322614

PubChem CID:

126670653

Reduced:

O2N7C28H31 (1)

Stoich.:

A2B7C28D31 (1)

Weight, g/mol:

610.195166

ΔHf, kcal/mol:

57.45

Dipole, Da:

2.41

IP(EA), eV:

 -7.95(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[2-fluoro-3-(trifluoromethoxy)phenyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)[C@H]1CCN(C1)C2=CC(=C(C=C2NC(=O)C=C)NC3=NC=CC(=N3)N4C=CC5=CC=CC=C54)OC

DOS

IR

Vibrations