Geometry & MOs

Info

ID:

190879

PubChem CID:

78071927

Reduced:

F3O8N11C39H48 (1)

Stoich.:

A3B8C11D39E48 (1)

Weight, g/mol:

741.371078

ΔHf, kcal/mol:

-428.09

Dipole, Da:

9.35

IP(EA), eV:

 -9.03(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[3-(diaminomethylideneamino)propyl]-9-[(4-hydroxyphenyl)methyl]-15-(naphthalen-2-ylmethyl)-8,11,14,17,20-pentaoxo-3,7,10,13,16,19-hexazaspiro[5.14]icosane-3-carboximidamide

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N)C(=N)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations