Geometry & MOs

Info

ID:	157396
PubChem CID:	56423650
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	460.091592
ΔH_f, kcal/mol:	-35.32
Dipole, Da:	3.12
IP(EA), eV:	-9.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=NC(=CS2)C3=CC=NC=C3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations