Geometry & MOs

Info

ID:	318233
PubChem CID:	126649947
Reduced:	N9H23C26 (1)
Stoich.:	A9B23C26 (1)
Weight, g/mol:	604.070303
ΔH_f, kcal/mol:	199.72
Dipole, Da:	8.66
IP(EA), eV:	-8.39(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonate

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC=CC=C2)C3=CC=CC(=C3)CN4C=C(C=N4)CC5=CC(=NC6=NNN=C56)N

DOS

IR

Vibrations