Geometry & MOs

Info

ID:	77671
PubChem CID:	49658622
Reduced:	ClSO2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	486.172562
ΔH_f, kcal/mol:	17.17
Dipole, Da:	4.76
IP(EA), eV:	-8.7(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-[(4-methoxyphenyl)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=CC=C4Cl

DOS

IR

Vibrations