Geometry & MOs

Info

ID:	137529
PubChem CID:	52220896
Reduced:	N3O3C20H33 (1)
Stoich.:	A3B3C20D33 (1)
Weight, g/mol:	413.153991
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	2.06
IP(EA), eV:	-8.48(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN(C)C(=O)NC[C@H](C(C)C)N2CCOCC2

DOS

IR

Vibrations