Geometry & MOs

Info

ID:	176579
PubChem CID:	76068737
Reduced:	SN2O5C26H50 (1)
Stoich.:	AB2C5D26E50 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-321.24
Dipole, Da:	7.68
IP(EA), eV:	-8.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-amino-2-oxo-4,5-dihydro-3H-azepin-1-yl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCSCC(C(=O)NC(CO)C(=O)O)NC(=O)C

DOS

IR

Vibrations