Geometry & MOs

Info

ID:	449891
PubChem CID:	135302326
Reduced:	SO3N4C30H32 (1)
Stoich.:	AB3C4D30E32 (1)
Weight, g/mol:	514.203862
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	6.88
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(6-methoxy-1,3-benzothiazol-2-yl)benzoyl]piperidin-4-yl]-3,3-dimethyl-1-phenylurea

Drug info:

PubChemData

Smile

CCCNC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=NC5=C(S4)C=C(C=C5)OC

DOS

IR

Vibrations