Geometry & MOs

Info

ID:

420849

PubChem CID:

135114924

Reduced:

FN3O3C19H26 (1)

Stoich.:

AB3C3D19E26 (1)

Weight, g/mol:

678.337712

ΔHf, kcal/mol:

-102.51

Dipole, Da:

4.03

IP(EA), eV:

 -9.09(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-13-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC(C)CCN(C)C(=O)C1=C(ON=C1N(C)C)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations