Geometry & MOs

Info

ID:	416193
PubChem CID:	135089203
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	7.72
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methyl-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCOC2=CC=CC=C2

DOS

IR

Vibrations