Geometry & MOs

Info

ID:	415366
PubChem CID:	135088360
Reduced:	S2O3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	11.14
IP(EA), eV:	-9.29(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)CN1C=NC=C1CNC(=O)CNS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations