Geometry & MOs

Info

ID:	137998
PubChem CID:	52297296
Reduced:	NSO6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	434.269319
ΔH_f, kcal/mol:	-236.65
Dipole, Da:	4.71
IP(EA), eV:	-9.56(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations