Geometry & MOs

Info

ID:	195834
PubChem CID:	78740267
Reduced:	NSO4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	7.5
IP(EA), eV:	-8.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C=CSC2=CC=CC=C2

DOS

IR

Vibrations