Geometry & MOs

Info

ID:	307638
PubChem CID:	125307873
Reduced:	SCl2O2N4H16C20 (1)
Stoich.:	AB2C2D4E16F20 (1)
Weight, g/mol:	321.081264
ΔH_f, kcal/mol:	13.35
Dipole, Da:	5.17
IP(EA), eV:	-9.24(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aR)-4-[3-(difluoromethoxy)phenyl]-7-methyl-4,4a-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

Drug info:

PubChemData

Smile

CCN1[C@@H](N=C2C3=CC=CC=C3N=C2C1=O)SCC(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations