Geometry & MOs

Info

ID:	318994
PubChem CID:	126654089
Reduced:	O2N7C21H31 (1)
Stoich.:	A2B7C21D31 (1)
Weight, g/mol:	553.223766
ΔH_f, kcal/mol:	-3.66
Dipole, Da:	5.96
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-benzyl-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1NC(=O)C(CCCN=C(N)N)NCC2=CC=C(N2)C3=CC=CC=C3

DOS

IR

Vibrations