Geometry & MOs

Info

ID:	237278
PubChem CID:	92718080
Reduced:	ClN2O4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	6.18
IP(EA), eV:	-9.52(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-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(=CC=C1)C(=O)NCC(=O)OCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations