Geometry & MOs

Info

ID:

161178

PubChem CID:

57390966

Reduced:

SN5O5C17H25 (1)

Stoich.:

AB5C5D17E25 (1)

Weight, g/mol:

722.34146

ΔHf, kcal/mol:

-195.1

Dipole, Da:

9.75

IP(EA), eV:

 -9.3(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2-(dimethylamino)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

DOS

IR

Vibrations