Geometry & MOs

Info

ID:	437694
PubChem CID:	135226859
Reduced:	BrNSC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	426.208947
ΔH_f, kcal/mol:	15.77
Dipole, Da:	2.83
IP(EA), eV:	-8.05(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[2-[(4-methylcyclohexyl)amino]-5-(methylsulfonimidoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C(C=C(C=C2)SC3CC3)Br

DOS

IR

Vibrations