Geometry & MOs

Info

ID:	120966
PubChem CID:	50751953
Reduced:	BrO2N6H17C20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	46.11
Dipole, Da:	3.15
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations