Geometry & MOs

Info

ID:	415664
PubChem CID:	135088663
Reduced:	FN3O5C25H32 (1)
Stoich.:	AB3C5D25E32 (1)
Weight, g/mol:	549.295119
ΔH_f, kcal/mol:	-213.46
Dipole, Da:	2.26
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-13-benzoyl-3-benzyl-7,12-dimethyl-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)CCCO

DOS

IR

Vibrations