Geometry & MOs

Info

ID:	369445
PubChem CID:	127333407
Reduced:	ClSO2N4C18H25 (1)
Stoich.:	ABC2D4E18F25 (1)
Weight, g/mol:	370.16166
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	2.51
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(1-methylpiperidin-3-yl)methyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1C(=O)NC2=C(C=CC(=C2)Cl)N3CCSCC3

DOS

IR

Vibrations