Geometry & MOs

Info

ID:	437848
PubChem CID:	135227187
Reduced:	OSN4C24H26 (1)
Stoich.:	ABC4D24E26 (1)
Weight, g/mol:	511.20585
ΔH_f, kcal/mol:	40.81
Dipole, Da:	6.7
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-cyclopropylsulfanyl-2-[(4-methylcyclohexyl)amino]phenyl]-6-methyl-7-oxo-1-phosphanylpyrrolo[2,3-c]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4(CC4)C#N)NC5CCCCC5

DOS

IR

Vibrations