Geometry & MOs

Info

ID:	32913
PubChem CID:	7849393
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	410.110042
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	7.95
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C2=NC(=CS2)COC(=O)/C=C/C3=CC=CC=C3C)C(=O)C)C

DOS

IR

Vibrations