Geometry & MOs

Info

ID:	435659
PubChem CID:	135192089
Reduced:	IO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-3.56
Dipole, Da:	7.14
IP(EA), eV:	-8.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methylphenyl)methylimino]but-2-enamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2OC[C@@H](C1=O)CNC(=O)C3=NN(C=C3)CC4=CC=CC=C4I

DOS

IR

Vibrations