Geometry & MOs

Info

ID:	33038
PubChem CID:	7850443
Reduced:	NO6C21H21 (1)
Stoich.:	AB6C21D21 (1)
Weight, g/mol:	392.119464
ΔH_f, kcal/mol:	-183.6
Dipole, Da:	7.82
IP(EA), eV:	-8.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations