Geometry & MOs

Info

ID:	62155
PubChem CID:	26717783
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	472.13359
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	2.98
IP(EA), eV:	-9.38(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=O)[C@H](S1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations