Geometry & MOs

Info

ID:	416674
PubChem CID:	135090011
Reduced:	NSO2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-127.56
Dipole, Da:	6.42
IP(EA), eV:	-8.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations