Geometry & MOs

Info

ID:	84706
PubChem CID:	49869378
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	2.68
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclohexylamino)pyrimidin-4-yl]-N-cyclopropylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC=CC(=N2)C3=CC(=CC=C3)OC4CCCCC4

DOS

IR

Vibrations