Geometry & MOs

Info

ID:	226563
PubChem CID:	87544099
Reduced:	NO5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	587.18141
ΔH_f, kcal/mol:	-215.25
Dipole, Da:	5.71
IP(EA), eV:	-10.37(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-[sulfonyl-[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

C1C[C@@](N(C1)C(=O)O)(CCC=O)C(=O)O

DOS

IR

Vibrations