Geometry & MOs

Info

ID:	216817
PubChem CID:	85086823
Reduced:	ClON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	305.111067
ΔH_f, kcal/mol:	-35.28
Dipole, Da:	5.23
IP(EA), eV:	-8.91(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-6-methoxy-2-(1,2,3-trihydroxypropyl)-2,3-dihydropyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCN1CCC2C1CCC3=C2C(=CC=C3)C(=O)N)Cl

DOS

IR

Vibrations