Geometry & MOs

Info

ID:	435631
PubChem CID:	135191976
Reduced:	ON5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	502.207701
ΔH_f, kcal/mol:	27.48
Dipole, Da:	3.56
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-7-[(Z)-N-amino-N-(2-cyanoethyl)carbamohydrazonoyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-benzyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=N\CN1C=CC=N1)/C=C(/C(=O)N)\N

DOS

IR

Vibrations