Geometry & MOs

Info

ID:	364543
PubChem CID:	127315795
Reduced:	N2F3O3C13H19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	398.151158
ΔH_f, kcal/mol:	-315.21
Dipole, Da:	1.44
IP(EA), eV:	-9.72(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)C2CCC(NC2=O)C(F)(F)F

DOS

IR

Vibrations