Geometry & MOs

Info

ID:

416609

PubChem CID:

135089815

Reduced:

SO3N4C16H20 (1)

Stoich.:

AB3C4D16E20 (1)

Weight, g/mol:

673.347549

ΔHf, kcal/mol:

-2.68

Dipole, Da:

7.3

IP(EA), eV:

 -9.2(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(N=CN=C2S1)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations