Geometry & MOs

Info

ID:	37210
PubChem CID:	8018271
Reduced:	N2O3H18C23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	393.078327
ΔH_f, kcal/mol:	-20.01
Dipole, Da:	5.89
IP(EA), eV:	-9.0(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations