Geometry & MOs

Info

ID:	34323
PubChem CID:	7890763
Reduced:	FSN2O6C18H19 (1)
Stoich.:	ABC2D6E18F19 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-236.15
Dipole, Da:	6.58
IP(EA), eV:	-9.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-aminobenzoate

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations