Geometry & MOs

Info

ID:	315234
PubChem CID:	126625213
Reduced:	NOC13H26 (2)
Stoich.:	ABC13D26 (2)
Weight, g/mol:	561.222132
ΔH_f, kcal/mol:	-207.76
Dipole, Da:	3.1
IP(EA), eV:	-9.87(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-amino-2-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]pyrazol-3-yl]-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(=O)NCCCCC(C(C)C)C(=O)N

DOS

IR

Vibrations