Geometry & MOs

Info

ID:

224137

PubChem CID:

85338618

Reduced:

S2O5N7C34H49 (1)

Stoich.:

A2B5C7D34E49 (1)

Weight, g/mol:

705.306194

ΔHf, kcal/mol:

-174.89

Dipole, Da:

5.62

IP(EA), eV:

 -8.4(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)OCC1=CN=CS1)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3C(=O)NC(C)(C)C)CC4=CN=CS4)O

DOS

IR

Vibrations