Geometry & MOs

Info

ID:	33056
PubChem CID:	7850503
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	396.094392
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	1.95
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations