Geometry & MOs

Info

ID:	74049
PubChem CID:	48421394
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-165.85
Dipole, Da:	5.97
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]amino]methyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=NC(=CS1)CC(=O)OCC

DOS

IR

Vibrations