Geometry & MOs

Info

ID:	225633
PubChem CID:	87219091
Reduced:	SCl2N3O4C27H31 (1)
Stoich.:	AB2C3D4E27F31 (1)
Weight, g/mol:	529.203528
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	3.73
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydroxy-3-phenylpropanoyl)amino]-N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1=NC=C(S1)C2=CC=CC=C2COC3=C(C(=CC=C3)Cl)Cl)NC(=O)[C@H](C(C)(C)C)O

DOS

IR

Vibrations