Geometry & MOs

Info

ID:	237279
PubChem CID:	92718081
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	4.68
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)N[C@@H](C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations