Geometry & MOs

Info

ID:	34168
PubChem CID:	7890146
Reduced:	ClNSO4H16C21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	2.68
IP(EA), eV:	-9.01(-1.06)
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] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)O)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations