Geometry & MOs

Info

ID:	245343
PubChem CID:	99443658
Reduced:	SF2N3O4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	422.223929
ΔH_f, kcal/mol:	-149.53
Dipole, Da:	4.26
IP(EA), eV:	-9.4(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-cyclopropyl-4-methoxy-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CS(=O)(=O)[C@H](C)C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations