Geometry & MOs

Info

ID:	33060
PubChem CID:	7850508
Reduced:	ClNO2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	412.064841
ΔH_f, kcal/mol:	-110.3
Dipole, Da:	6.98
IP(EA), eV:	-9.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)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(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations