Geometry & MOs

Info

ID:

444998

PubChem CID:

135264213

Reduced:

N2C15H22 (1)

Stoich.:

A2B15C22 (1)

Weight, g/mol:

1424.549393

ΔHf, kcal/mol:

11.7

Dipole, Da:

2.55

IP(EA), eV:

-8.2(0.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(16E,18E)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[3-[[3-[[1-[[(16E,18E)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]propanoyl-methylamino]propanoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=C)[C@H]2CCCNC2

DOS

IR

Vibrations