Geometry & MOs

Info

ID:

438566

PubChem CID:

135228310

Reduced:

N8O9C64H138 (1)

Stoich.:

A8B9C64D138 (1)

Weight, g/mol:

458.206639

ΔHf, kcal/mol:

-607.07

Dipole, Da:

9.37

IP(EA), eV:

 -8.14(1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-2-[15-methoxy-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-(1-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CCCN(CC)CCN(CCNC(C)(C)CCO)CCN(CCN(CCNCC(C)(C)COC(C)(C)CCO)CCN(CCNC(C)(C)CCOC(C)CCCO)C(C)(C)CCOC(C)(C)CCO)C(C)(C)CCOC(C)(C)CCO

DOS

IR

Vibrations