Geometry & MOs

Info

ID:	421276
PubChem CID:	135115681
Reduced:	FO2N4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	608.332233
ΔH_f, kcal/mol:	-96.87
Dipole, Da:	4.24
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1F)N2CCCC(C2)C(=O)N

DOS

IR

Vibrations