Geometry & MOs

Info

ID:	182
PubChem CID:	2248
Reduced:	N5O6C17H35 (1)
Stoich.:	A5B6C17D35 (1)
Weight, g/mol:	405.258734
ΔH_f, kcal/mol:	-284.03
Dipole, Da:	2.15
IP(EA), eV:	-9.31(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C1CCC(C(O1)OC2C(C(C(C(C2O)N(C)C(=O)CN)OC)O)N)N)N

DOS

IR

Vibrations