Geometry & MOs

Info

ID:	90051
PubChem CID:	49965962
Reduced:	OSN2F3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	400.029395
ΔH_f, kcal/mol:	-127.15
Dipole, Da:	7.68
IP(EA), eV:	-8.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCSC2=NC3=C(CCC3)C(=C2C#N)C(F)(F)F

DOS

IR

Vibrations