Geometry & MOs

Info

ID:	437846
PubChem CID:	135227132
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	463.204196
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	4.66
IP(EA), eV:	-8.34(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(CC1)OC2=C(C=C(C=C2)S(=O)C)C3=CN(C(=O)C4=C3C=CN4)C)C

DOS

IR

Vibrations