Geometry & MOs

Info

ID:

163897

PubChem CID:

74380656

Reduced:

INO4C30H44 (1)

Stoich.:

ABC4D30E44 (1)

Weight, g/mol:

611.330561

ΔHf, kcal/mol:

-20.44

Dipole, Da:

24.84

IP(EA), eV:

 -6.23(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-hydroxy-10-[4-[[2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]deca-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C)(C1CC23CCC1(C4C25CC[N+](C3CC6=C5C(=C(C=C6)O)O4)(C)CC7CC7)OC)O.[I-]

DOS

IR

Vibrations