Geometry & MOs

Info

ID:	77673
PubChem CID:	49658624
Reduced:	FSO2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	470.177647
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	11.23
IP(EA), eV:	-9.13(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations