Geometry & MOs

Info

ID:	419246
PubChem CID:	135107821
Reduced:	NSO6C14H19 (1)
Stoich.:	ABC6D14E19 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-246.44
Dipole, Da:	8.41
IP(EA), eV:	-9.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O)OC

DOS

IR

Vibrations