Geometry & MOs

Info

ID:

229863

PubChem CID:

87569388

Reduced:

SN2O4C16H22 (1)

Stoich.:

AB2C4D16E22 (1)

Weight, g/mol:

1163.459965

ΔHf, kcal/mol:

-165.82

Dipole, Da:

4.08

IP(EA), eV:

-8.65(-0.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;(3R,4S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Drug info:

PubChemData

Smile

CC(=O)OCCN(C(=O)NC1CCC2=C(C1)C=C(C=C2)OC)S

DOS

IR

Vibrations