Geometry & MOs

Info

ID:

215271

PubChem CID:

85084460

Reduced:

NO16C39H49 (1)

Stoich.:

AB16C39D49 (1)

Weight, g/mol:

787.498295

ΔHf, kcal/mol:

-655.9

Dipole, Da:

2.81

IP(EA), eV:

 -8.87(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[2-ethyl-3,4,10,13-tetrahydroxy-11-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]-1-methyl-3-naphthalen-1-ylurea

Drug info:

PubChemData

Smile

CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)O)O)N(C)C)O

DOS

IR

Vibrations