Geometry & MOs

Info

ID:

190378

PubChem CID:

77993717

Reduced:

N3O8C31H55 (1)

Stoich.:

A3B8C31D55 (1)

Weight, g/mol:

709.397202

ΔHf, kcal/mol:

-398.26

Dipole, Da:

0.71

IP(EA), eV:

 -8.11(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=O)O

DOS

IR

Vibrations