Geometry & MOs

Info

ID:	415130
PubChem CID:	135088116
Reduced:	NOF4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	548.255875
ΔH_f, kcal/mol:	-253.22
Dipole, Da:	6.22
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[1-(difluoromethyl)pyrazole-3-carbonyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC(=CC(=C3)F)C(F)(F)F)O

DOS

IR

Vibrations