Geometry & MOs

Info

ID:	33040
PubChem CID:	7850450
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	396.094392
ΔH_f, kcal/mol:	-124.44
Dipole, Da:	10.04
IP(EA), eV:	-9.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)methyl (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)COC(=O)/C=C/C1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations