Geometry & MOs

Info

ID:	194017
PubChem CID:	78469270
Reduced:	SN3O6C16H21 (1)
Stoich.:	AB3C6D16E21 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	3.08
IP(EA), eV:	-9.88(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

DOS

IR

Vibrations