Geometry & MOs

Info

ID:

322618

PubChem CID:

126670663

Reduced:

BrSO3N7C27H28 (1)

Stoich.:

ABC3D7E27F28 (1)

Weight, g/mol:

619.15427

ΔHf, kcal/mol:

23.61

Dipole, Da:

3.8

IP(EA), eV:

 -7.97(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R,5S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-(hydroxymethyl)-4,5-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CS(C[C@H]4C(=O)NC5=NC(=CC=C5)Br)(C)C

DOS

IR

Vibrations