Geometry & MOs

Info

ID:

192659

PubChem CID:

78297332

Reduced:

NO2C11H17 (3)

Stoich.:

AB2C11D17 (3)

Weight, g/mol:

2286.458286

ΔHf, kcal/mol:

-301.01

Dipole, Da:

3.74

IP(EA), eV:

-9.39(0.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC1C(C2CCCOC2O1)OC(=O)NC(CC3=CC=CC=C3)C(CN4CC5CCCCC5CC4C(=O)NC(C)(C)C)O

DOS

IR

Vibrations