Geometry & MOs

Info

ID:

168174

PubChem CID:

74932705

Reduced:

NO5C28H31 (1)

Stoich.:

AB5C28D31 (1)

Weight, g/mol:

640.180543

ΔHf, kcal/mol:

-133.96

Dipole, Da:

2.92

IP(EA), eV:

 -9.32(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,20-dihydroxy-13-[(4-hydroxyphenyl)methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

Drug info:

PubChemData

Smile

C1C(C(C(C(=O)N1CCO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations