Geometry & MOs

Info

ID:

189847

PubChem CID:

77914153

Reduced:

SN3O4H11C13 (1)

Stoich.:

AB3C4D11E13 (1)

Weight, g/mol:

635.309432

ΔHf, kcal/mol:

-35.35

Dipole, Da:

0.56

IP(EA), eV:

 -8.34(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(cyclobutylmethyl)-10-methoxy-17-(3-phenylpropyl)-12,15-dioxa-4-azahexacyclo[9.8.1.01,13.05,19.07,20.014,17]icosa-7(20),8,10-triene;2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

C1COC2=CC3=C(C=C2C4=C1SC(=N4)N=CNO)OCO3

DOS

IR

Vibrations