Geometry & MOs

Info

ID:	218562
PubChem CID:	85089623
Reduced:	N2O5C28H36 (1)
Stoich.:	A2B5C28D36 (1)
Weight, g/mol:	480.327148
ΔH_f, kcal/mol:	-150.84
Dipole, Da:	2.45
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[2-[(6-amino-1-hydroxyhexan-2-yl)amino]ethoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)CC(C(CCCC=C)C(=O)NO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations