Geometry & MOs

Info

ID:	141515
PubChem CID:	52887220
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	381.078327
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	6.3
IP(EA), eV:	-9.58(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilino-1,3-thiazol-4-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)OC1=O

DOS

IR

Vibrations