Geometry & MOs

Info

ID:	323474
PubChem CID:	126674929
Reduced:	N2O2C27H38 (1)
Stoich.:	A2B2C27D38 (1)
Weight, g/mol:	553.178216
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	3.95
IP(EA), eV:	-8.39(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(pentafluoro-lambda6-sulfanyl)phenyl]-3-[4-(2-morpholin-4-ylpyrimidin-4-yl)oxycyclohexyl]urea

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCCC3)N4CCN(CC4)CCO

DOS

IR

Vibrations