Geometry & MOs

Info

ID:

219789

PubChem CID:

85164898

Reduced:

N4O9C30H38 (1)

Stoich.:

A4B9C30D38 (1)

Weight, g/mol:

598.31552

ΔHf, kcal/mol:

-375.05

Dipole, Da:

10.07

IP(EA), eV:

 -9.72(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(11,16-diethyl-19-formyl-11,12-dihydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCNC(=O)CCC(=O)O)C(=O)NCC(=O)OCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations