Geometry & MOs

Info

ID:

215056

PubChem CID:

85084067

Reduced:

O7N8C34H48 (1)

Stoich.:

A7B8C34D48 (1)

Weight, g/mol:

680.429321

ΔHf, kcal/mol:

-289.48

Dipole, Da:

4.1

IP(EA), eV:

 -8.91(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[3,5-diamino-2-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyethyl-[2-(diaminomethylideneamino)ethyl]amino]ethyl]guanidine

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)N)N

DOS

IR

Vibrations