Geometry & MOs

Info

ID:	177820
PubChem CID:	76235344
Reduced:	O3N5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	399.057215
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	6.58
IP(EA), eV:	-9.12(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxobenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CN3CCCC(C3)C)N

DOS

IR

Vibrations