Geometry & MOs

Info

ID:

215241

PubChem CID:

85084415

Reduced:

N4O5C19H22 (2)

Stoich.:

A4B5C19D22 (2)

Weight, g/mol:

772.147747

ΔHf, kcal/mol:

-366.44

Dipole, Da:

5.98

IP(EA), eV:

 -8.79(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-3-[8-hydroxy-4-(hydroxymethyl)-7-methoxy-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-20-methyl-14-propan-2-yl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione

Drug info:

PubChemData

Smile

C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCNC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)CC(=O)O

DOS

IR

Vibrations