Geometry & MOs

Info

ID:	27826
PubChem CID:	823748
Reduced:	OSCl2N2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	5.53
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations