Geometry & MOs

Info

ID:	196275
PubChem CID:	78804382
Reduced:	ClSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	5.43
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-5-propan-2-ylphenyl) 4-(acetamidomethyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations