Geometry & MOs

Info

ID:	420431
PubChem CID:	135113065
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	4.69
IP(EA), eV:	-8.42(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)N(C)CCCC2CCCO2

DOS

IR

Vibrations