Geometry & MOs

Info

ID:	327681
PubChem CID:	126690729
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	401.075802
ΔH_f, kcal/mol:	-63.41
Dipole, Da:	2.05
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[8-(2,4-difluorophenyl)-8-oxo-8lambda6-thia-2,7,9-triazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-4-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=C)NS(=O)(=O)C1=C(N=CC(=C1)C2=CC(=NC=C2)NC(=O)C)N

DOS

IR

Vibrations