Geometry & MOs

Info

ID:

178122

PubChem CID:

76281326

Reduced:

N3O3H15C17 (1)

Stoich.:

A3B3C15D17 (1)

Weight, g/mol:

1090.608968

ΔHf, kcal/mol:

-5.81

Dipole, Da:

1.67

IP(EA), eV:

-9.11(-1.03)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2E,4S,6S,9R,10R,17R,20S,23R,24E,26R,27S,29R,31S)-10,26,28-trihydroxy-20-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,27-dimethoxy-3,9,23,25,29,31-hexamethyl-35-phenyl-19,41-dioxa-13,33,35,37-tetrazapentacyclo[30.5.2.16,10.113,17.033,37]hentetraconta-2,24,38-triene-11,12,18,22,34,36-hexone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)OCC2=CC=C(C=C2)C3=NOC(=C3)C(=O)N

DOS

IR

Vibrations