Geometry & MOs

Info

ID:	33047
PubChem CID:	7850460
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-142.11
Dipole, Da:	7.98
IP(EA), eV:	-9.06(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl] (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC(=O)NCCOC

DOS

IR

Vibrations