Geometry & MOs

Info

ID:	237568
PubChem CID:	92719766
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	3.13
IP(EA), eV:	-8.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(6-oxo-5-propan-2-ylbenzo[b][1,4]benzoxazepin-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations