Geometry & MOs

Info

ID:	437752
PubChem CID:	135226981
Reduced:	BrNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	503.112662
ΔH_f, kcal/mol:	49.89
Dipole, Da:	2.02
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylsulfonimidoyl)-2-[4-(trifluoromethoxy)phenoxy]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=C(C=C2)SC3(CC3)C#N)Br

DOS

IR

Vibrations