Geometry & MOs

Info

ID:	229878
PubChem CID:	87569426
Reduced:	O4C17H32 (1)
Stoich.:	A4B17C32 (1)
Weight, g/mol:	561.377786
ΔH_f, kcal/mol:	-237.98
Dipole, Da:	6.5
IP(EA), eV:	-10.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]amino]-4-(heptylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCC(CC)CC(CC(CC)CC)(C(C)C(=O)O)C(=O)O

DOS

IR

Vibrations