Geometry & MOs

Info

ID:

223132

PubChem CID:

85334558

Reduced:

SO16N18C48H86 (1)

Stoich.:

AB16C18D48E86 (1)

Weight, g/mol:

1203.802875

ΔHf, kcal/mol:

-762.45

Dipole, Da:

10.06

IP(EA), eV:

 -8.99(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-ethyl-18-(1-hydroxy-2-methylhex-4-enyl)-10,13,19,22,25,28,30,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-32-sulfanylidene-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29-decone

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)O)N

DOS

IR

Vibrations