Geometry & MOs

Info

ID:	59986
PubChem CID:	26527435
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	399.105291
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	4.22
IP(EA), eV:	-8.53(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations