Geometry & MOs

Info

ID:	191019
PubChem CID:	78094779
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	8.46
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N,2-dimethylhexanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3CC(NN3)C(=O)O

DOS

IR

Vibrations