Geometry & MOs

Info

ID:	158737
PubChem CID:	56468216
Reduced:	ClFSO3N5H19C20 (1)
Stoich.:	ABCD3E5F19G20 (1)
Weight, g/mol:	474.148553
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	9.12
IP(EA), eV:	-9.59(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3(CCCC3)S(=O)(=O)C4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations