Geometry & MOs

Info

ID:	323371
PubChem CID:	126674586
Reduced:	N4O4C19H30 (1)
Stoich.:	A4B4C19D30 (1)
Weight, g/mol:	468.125453
ΔH_f, kcal/mol:	-175.61
Dipole, Da:	3.49
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(pentafluoro-lambda6-sulfanyl)phenyl]-3-(4-pyrimidin-2-yloxycyclohexyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(CC1)OC2=NC=CC(=N2)N3CCOCC3

DOS

IR

Vibrations