Geometry & MOs

Info

ID:	157895
PubChem CID:	56458806
Reduced:	SO2N3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	416.106688
ΔH_f, kcal/mol:	-39.65
Dipole, Da:	3.3
IP(EA), eV:	-8.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CSCC3C(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations