Geometry & MOs

Info

ID:	242745
PubChem CID:	99206003
Reduced:	SO2N5C23H31 (1)
Stoich.:	AB2C5D23E31 (1)
Weight, g/mol:	377.130633
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	6.63
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations