Geometry & MOs

Info

ID:	311400
PubChem CID:	126591466
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	438.107038
ΔH_f, kcal/mol:	-98.88
Dipole, Da:	1.9
IP(EA), eV:	-9.8(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3R,4aR,7aS)-2-amino-3,4a-difluoro-3-methyl-5,7-dihydro-4H-furo[3,4-b]pyridin-7a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1([C@H](O1)CC=C2CC2)[C@H]3[C@@H]([C@@H](CC[C@]34CO4)O)OC

DOS

IR

Vibrations