Geometry & MOs

Info

ID:

169460

PubChem CID:

75106053

Reduced:

Cl2N4O8C39H54 (1)

Stoich.:

A2B4C8D39E54 (1)

Weight, g/mol:

855.303128

ΔHf, kcal/mol:

-349.23

Dipole, Da:

6.53

IP(EA), eV:

 -8.84(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[1-chloro-3-[10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxybutyl]phenyl] 3-amino-2,2-dimethylpropanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)(C)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C(C(C3=CC=C(C=C3)CNCCN)Cl)O

DOS

IR

Vibrations