Geometry & MOs

Info

ID:	172979
PubChem CID:	75577622
Reduced:	FO2N3C27H32 (1)
Stoich.:	AB2C3D27E32 (1)
Weight, g/mol:	386.121275
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	4.66
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl)-4-fluorophenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCC2(CC1)C(CNC2=O)C3=CC=C(C=C3)F)NC(=O)C4CC4C5=CC=CC=C5

DOS

IR

Vibrations