Geometry & MOs

Info

ID:	153944
PubChem CID:	56313297
Reduced:	FSN2O3C22H27 (1)
Stoich.:	ABC2D3E22F27 (1)
Weight, g/mol:	388.163436
ΔH_f, kcal/mol:	-147.25
Dipole, Da:	1.85
IP(EA), eV:	-9.19(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-2-nitro-N-(3-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C3=CC=CC=C3

DOS

IR

Vibrations