Geometry & MOs

Info

ID:	65347
PubChem CID:	29214750
Reduced:	ClS2O3N4C22H27 (1)
Stoich.:	AB2C3D4E22F27 (1)
Weight, g/mol:	364.139154
ΔH_f, kcal/mol:	-36.72
Dipole, Da:	4.91
IP(EA), eV:	-8.58(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-butyl-1-methylthiourea

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(CC=C)C2=CC=CC=C2

DOS

IR

Vibrations