Geometry & MOs

Info

ID:	437831
PubChem CID:	135227117
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	590.0085
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	8.05
IP(EA), eV:	-8.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2,4-difluorophenoxy)-3-(1-iodo-6-methyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfinimidoyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C)C

DOS

IR

Vibrations