Geometry & MOs

Info

ID:	435608
PubChem CID:	135191938
Reduced:	ClFO2N5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	8.55
IP(EA), eV:	-9.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC2=NC(=NN2)C(=O)N=C[C@@H]3CCC4=C(C(=CC(=C4)Cl)F)NC3=O

DOS

IR

Vibrations