Geometry & MOs

Info

ID:

224134

PubChem CID:

85338582

Reduced:

SN4O6C38H48 (1)

Stoich.:

AB4C6D38E48 (1)

Weight, g/mol:

689.335744

ΔHf, kcal/mol:

-227.17

Dipole, Da:

9.47

IP(EA), eV:

 -8.32(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-N-(4-fluorophenyl)sulfonyl-3,4,13-trihydroxy-3,14-dimethyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCC4=CC=CC=C4)CC(=O)O

DOS

IR

Vibrations