Geometry & MOs

Info

ID:	437847
PubChem CID:	135227186
Reduced:	SO2N5C25H29 (1)
Stoich.:	AB2C5D25E29 (1)
Weight, g/mol:	418.182733
ΔH_f, kcal/mol:	34.59
Dipole, Da:	5.74
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfanylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C3(CC3)C#N)C4=CN(C(=O)C5=C4C=CN5)C

DOS

IR

Vibrations