Geometry & MOs

Info

ID:

168553

PubChem CID:

74987100

Reduced:

ON3C23H31 (1)

Stoich.:

AB3C23D31 (1)

Weight, g/mol:

772.508526

ΔHf, kcal/mol:

12.17

Dipole, Da:

9.91

IP(EA), eV:

 -8.06(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-13-(5-ethynyl-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

Drug info:

PubChemData

Smile

CC1=CC(=C2CC(CC(N2)N(C)CCN(C)C)C3=CC=CC=C3)C=CC1=O

DOS

IR

Vibrations