Geometry & MOs

Info

ID:

220154

PubChem CID:

85165303

Reduced:

N5O8C34H55 (1)

Stoich.:

A5B8C34D55 (1)

Weight, g/mol:

661.410424

ΔHf, kcal/mol:

-429.28

Dipole, Da:

4.92

IP(EA), eV:

 -9.34(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-aminobutylamino)propyl]-3-(16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(C)(C(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations