Geometry & MOs

Info

ID:	33911
PubChem CID:	7888703
Reduced:	OS2N5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	77.87
Dipole, Da:	4.11
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopentylamino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)CSC3=NN=C4N3C=CC=C4)C(=O)C

DOS

IR

Vibrations