Geometry & MOs

Info

ID:	33055
PubChem CID:	7850502
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	392.119464
ΔH_f, kcal/mol:	-66.63
Dipole, Da:	0.76
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl)methyl (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC3=CC=CC=C3OC

DOS

IR

Vibrations