Geometry & MOs

Info

ID:	437754
PubChem CID:	135226983
Reduced:	BrNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	472.106848
ΔH_f, kcal/mol:	26.96
Dipole, Da:	4.24
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclopropylsulfanyl-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)S(=O)C3(CC3)C#N)Br

DOS

IR

Vibrations