Geometry & MOs

Info

ID:	327802
PubChem CID:	126691086
Reduced:	SO6C7H10 (2)
Stoich.:	AB6C7D10 (2)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-486.26
Dipole, Da:	4.29
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)-2-(3,3,3-trifluoropropyl)butanediamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCCCOS(=O)(=O)O)C(=O)O)OCCCCOS(=O)(=O)O

DOS

IR

Vibrations