Geometry & MOs

Info

ID:	33224
PubChem CID:	7885484
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	343.124215
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	5.02
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfanylphenyl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N(C)CC4=CC=CC=C4OC

DOS

IR

Vibrations