Geometry & MOs

Info

ID:	122951
PubChem CID:	50828424
Reduced:	ClO2S2N3H20C23 (1)
Stoich.:	AB2C2D3E20F23 (1)
Weight, g/mol:	441.237604
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	6.0
IP(EA), eV:	-8.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(S2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations