Geometry & MOs

Info

ID:	33058
PubChem CID:	7850506
Reduced:	NO4H23C25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	403.099063
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	5.86
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)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=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations