Geometry & MOs

Info

ID:	419367
PubChem CID:	135108043
Reduced:	F2N2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	532.208863
ΔH_f, kcal/mol:	-91.51
Dipole, Da:	2.2
IP(EA), eV:	-8.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)CN(C)C2C[C@H]3CC(C[C@H]3C2)N(C)C)F)F

DOS

IR

Vibrations