Geometry & MOs

Info

ID:	34899
PubChem CID:	7979067
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	-155.59
Dipole, Da:	5.01
IP(EA), eV:	-9.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-benzyl-1-methylthiourea

Drug info:

PubChemData

Smile

CCCNC(=O)COC(=O)[C@@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations