Geometry & MOs

Info

ID:	181653
PubChem CID:	76770310
Reduced:	FOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	380.110711
ΔH_f, kcal/mol:	50.21
Dipole, Da:	3.52
IP(EA), eV:	-8.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(C=CSC(=N1)N)C2=C(C=CC(=C2)CC(=O)C3=NC=C(N=C3)C4=CC=CC4)F

DOS

IR

Vibrations