Geometry & MOs

Info

ID:	437196
PubChem CID:	135215759
Reduced:	FNC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	581.124165
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	5.34
IP(EA), eV:	-9.2(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C3CC3C2)C(=N1)C(F)F

DOS

IR

Vibrations