Geometry & MOs

Info

ID:

215386

PubChem CID:

85084655

Reduced:

SO9N11C40H55 (1)

Stoich.:

AB9C11D40E55 (1)

Weight, g/mol:

865.566375

ΔHf, kcal/mol:

-317.46

Dipole, Da:

7.18

IP(EA), eV:

 -8.78(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(3-aminophenyl)methoxyimino]-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-11,12-dihydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methoxy-2,4,6,8,10,12-hexamethylcyclotetradecan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)N=[N+]=[N-])N1CCC(C1=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)N)NC(=O)CN

DOS

IR

Vibrations