Geometry & MOs

Info

ID:	37238
PubChem CID:	8018617
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-162.48
Dipole, Da:	9.56
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations