Geometry & MOs

Info

ID:	71945
PubChem CID:	48415645
Reduced:	OS2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	19.66
Dipole, Da:	2.09
IP(EA), eV:	-8.71(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)C4SCCCS4

DOS

IR

Vibrations