Geometry & MOs

Info

ID:	314891
PubChem CID:	126623911
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	630.169682
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	3.77
IP(EA), eV:	-8.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=C(S1)CCNC2=O)C3CCCCC3

DOS

IR

Vibrations