Geometry & MOs

Info

ID:

169458

PubChem CID:

75105984

Reduced:

ClPN7O8C18H31 (1)

Stoich.:

ABC7D8E18F31 (1)

Weight, g/mol:

850.282275

ΔHf, kcal/mol:

-375.9

Dipole, Da:

7.43

IP(EA), eV:

 -9.13(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-[4-[(2-aminoethylamino)methyl]phenyl]-4-chloro-3-hydroxybutan-2-yl]-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone;dihydrochloride

Drug info:

PubChemData

Smile

CC(C(=O)OCCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCCOC(=O)C(C)N)N.Cl

DOS

IR

Vibrations