Geometry & MOs

Info

ID:	34140
PubChem CID:	7890033
Reduced:	ClFNO4H17C22 (1)
Stoich.:	ABCD4E17F22 (1)
Weight, g/mol:	398.110042
ΔH_f, kcal/mol:	-138.98
Dipole, Da:	6.31
IP(EA), eV:	-8.55(-0.83)
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-fluorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations