Geometry & MOs

Info

ID:	135892
PubChem CID:	51953024
Reduced:	SO2N3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970711
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CO1)NC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3

DOS

IR

Vibrations