Geometry & MOs

Info

ID:	128452
PubChem CID:	51044767
Reduced:	ClSN2O4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-105.01
Dipole, Da:	5.81
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CSCCN1CC2=CC(=O)C(=CO2)OCC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations