Geometry & MOs

Info

ID:	34170
PubChem CID:	7890151
Reduced:	ClFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-95.67
Dipole, Da:	3.76
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC2=CC=CC=C2

DOS

IR

Vibrations