Geometry & MOs

Info

ID:	225634
PubChem CID:	87219098
Reduced:	SN3O4C30H31 (1)
Stoich.:	AB3C4D30E31 (1)
Weight, g/mol:	529.180205
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	1.67
IP(EA), eV:	-8.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[5-[4-chloro-2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-2-hydroxy-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=NC=C(S1)C2=CC=CC=C2COC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)O

DOS

IR

Vibrations