Geometry & MOs

Info

ID:	225637
PubChem CID:	87219105
Reduced:	S2N4O5C31H42 (1)
Stoich.:	A2B4C5D31E42 (1)
Weight, g/mol:	519.165034
ΔH_f, kcal/mol:	-179.0
Dipole, Da:	4.23
IP(EA), eV:	-8.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]-N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCCOC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C)CNC(=O)[C@H](CC(C)C)CS)CC

DOS

IR

Vibrations