Geometry & MOs

Info

ID:	435622
PubChem CID:	135191961
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-136.43
Dipole, Da:	4.43
IP(EA), eV:	-8.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC(=C(C=C2OC)OCCC(=O)O)N

DOS

IR

Vibrations