Geometry & MOs

Info

ID:	191355
PubChem CID:	78136770
Reduced:	O3N8C26H42 (1)
Stoich.:	A3B8C26D42 (1)
Weight, g/mol:	381.039953
ΔH_f, kcal/mol:	19.27
Dipole, Da:	4.81
IP(EA), eV:	-8.19(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dihydroxy-2-propan-2-yloxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid

Drug info:

PubChemData

Smile

CC12CCC3=CC(=NN=C(N)N)C=CC3(C1(C(CC4(C2(CCC4(C(=NN=C(N)N)CO)O)C)C)O)C)C

DOS

IR

Vibrations