Geometry & MOs

Info

ID:	84897
PubChem CID:	49870598
Reduced:	OF3N3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-157.69
Dipole, Da:	3.49
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]-N-methylcyclopropanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NC(=NC=C2)NC3CCCCC3)C(F)(F)F

DOS

IR

Vibrations