Geometry & MOs

Info

ID:	137838
PubChem CID:	52270580
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	7.49
Dipole, Da:	7.26
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)NC2=CC(=CC=C2)OCCN3C=CC=N3)C4=CSC=C4

DOS

IR

Vibrations