Geometry & MOs

Info

ID:	415792
PubChem CID:	135088793
Reduced:	FN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	557.321334
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	4.41
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-14-[(2R)-oxolane-2-carbonyl]-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations