Geometry & MOs

Info

ID:	326129
PubChem CID:	126686632
Reduced:	BrFSH3N3C5 (1)
Stoich.:	ABCD3E3F5 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	63.26
Dipole, Da:	2.35
IP(EA), eV:	-9.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoropropoxy)-2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

C1=C(SC(=C1F)CN=[N+]=[N-])Br

DOS

IR

Vibrations