Geometry & MOs

Info

ID:	196322
PubChem CID:	78811286
Reduced:	BrNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	385.128255
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	4.29
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CC2=CC3=C(C=C2Br)OCCO3

DOS

IR

Vibrations