Geometry & MOs

Info

ID:	217482
PubChem CID:	85087886
Reduced:	N2O6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	368.100185
ΔH_f, kcal/mol:	-198.28
Dipole, Da:	6.02
IP(EA), eV:	-9.11(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diaminomethylideneamino)-3-(methanesulfonamido)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)CNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations