Geometry & MOs

Info

ID:

215229

PubChem CID:

85084401

Reduced:

N7O8C41H47 (1)

Stoich.:

A7B8C41D47 (1)

Weight, g/mol:

765.48292

ΔHf, kcal/mol:

-283.67

Dipole, Da:

5.35

IP(EA), eV:

 -8.48(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[12-ethyl-17-(1-hexoxyethyl)-4-hexyl-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,9(27),10,12,14(26),15,17,19(25),20-nonaen-23-yl]propanoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N6CCCC6C(=O)O

DOS

IR

Vibrations