Geometry & MOs

Info

ID:	142726
PubChem CID:	53082295
Reduced:	FSO2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	3.44
IP(EA), eV:	-8.64(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4F

DOS

IR

Vibrations