Geometry & MOs

Info

ID:	437807
PubChem CID:	135227093
Reduced:	SO2N4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	421.218784
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	6.89
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclopropylsulfanyl-2-[(4,4-dimethylcyclohexyl)amino]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C3CC3)C4=CN(C(=O)C5=C4C=CN5)C)C

DOS

IR

Vibrations