Geometry & MOs

Info

ID:

190878

PubChem CID:

78071920

Reduced:

O2N7C25H31 (1)

Stoich.:

A2B7C25D31 (1)

Weight, g/mol:

855.363942

ΔHf, kcal/mol:

2.45

Dipole, Da:

3.05

IP(EA), eV:

 -9.05(-0.73)

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;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1=CC=CC(=C1)C2=NN(C3=NC=NC(=C23)N)C4CCCN(C4)C(=O)C=C

DOS

IR

Vibrations