Geometry & MOs

Info

ID:	72055
PubChem CID:	48415762
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	8.64
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations