Geometry & MOs

Info

ID:	437746
PubChem CID:	135226975
Reduced:	BrFOSC9H10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	3.66
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(cyclopropylmethoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfonimidoyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)S(=O)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations