Geometry & MOs

Info

ID:	33043
PubChem CID:	7850455
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	403.099063
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	4.85
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-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=C(N=CC=C2)Cl

DOS

IR

Vibrations