Geometry & MOs

Info

ID:	317568
PubChem CID:	126643492
Reduced:	NF2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	515.202048
ΔH_f, kcal/mol:	-237.32
Dipole, Da:	6.32
IP(EA), eV:	-9.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-5-[[(1R,4S)-1-[(9-fluoro-1-methylbenzo[f]indazol-8-yl)methyl]bicyclo[2.2.1]heptane-2-carbonyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)F)C2CNC(=O)C2C(=O)O)F

DOS

IR

Vibrations