Geometry & MOs

Info

ID:	309381
PubChem CID:	126545835
Reduced:	NH29C35 (1)
Stoich.:	AB29C35 (1)
Weight, g/mol:	491.038784
ΔH_f, kcal/mol:	109.54
Dipole, Da:	1.85
IP(EA), eV:	-8.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[3-chloro-N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-fluoroanilino]methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N3C4=CC=CC=C4C5=C3C(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C72)C(C)(C)C

DOS

IR

Vibrations