Geometry & MOs

Info

ID:	54354
PubChem CID:	17101006
Reduced:	SN2O2Cl3H9C12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	473.177313
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	5.49
IP(EA), eV:	-8.72(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations