Geometry & MOs

Info

ID:	359009
PubChem CID:	127297253
Reduced:	FSN2O2C19H25 (1)
Stoich.:	ABC2D2E19F25 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-138.03
Dipole, Da:	3.52
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(1-methylcyclopentyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1(CCCC1)CNC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

DOS

IR

Vibrations