Geometry & MOs

Info

ID:	449176
PubChem CID:	135296587
Reduced:	N3O5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	3.35
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-6-yl]-3-methyl-2-methylidene-N-pentylpent-3-enamide

Drug info:

PubChemData

Smile

C=C(CCCOCCOCCOCCOCCO)N=CC(=C)C1=CC2=C(C=C1)C3=C(N2)C=CN=C3

DOS

IR

Vibrations