Geometry & MOs

Info

ID:	135948
PubChem CID:	51958001
Reduced:	FON5C25H26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	373.171165
ΔH_f, kcal/mol:	6.27
Dipole, Da:	8.08
IP(EA), eV:	-8.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-N-[(2S)-5-methylhexan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)N[C@H](CN2C=NC3=CC=CC=C32)C4=CC=C(C=C4)F

DOS

IR

Vibrations