Geometry & MOs

Info

ID:	437774
PubChem CID:	135227003
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	486.153718
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	4.86
IP(EA), eV:	-8.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfonimidoyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)S(=N)(=O)C1=CC(=C(C=C1)OC2CCC(CC2)O)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations