Geometry & MOs

Info

ID:

219317

PubChem CID:

85098729

Reduced:

N9O12C35H47 (1)

Stoich.:

A9B12C35D47 (1)

Weight, g/mol:

785.390082

ΔHf, kcal/mol:

-498.8

Dipole, Da:

4.13

IP(EA), eV:

 -9.18(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4-aminobutyl)-20-[(4-hydroxyphenyl)methyl]-17-(1H-indol-3-ylmethyl)-11-propan-2-yl-9,12,15,18,21-pentazatricyclo[21.2.2.02,7]heptacosa-1(25),2,4,6,23,26-hexaene-10,13,16,19,22-pentone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations