Geometry & MOs

Info

ID:	30058
PubChem CID:	839382
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-84.42
Dipole, Da:	6.91
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2

DOS

IR

Vibrations