Geometry & MOs

Info

ID:	349317
PubChem CID:	127275104
Reduced:	SN2O4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-196.0
Dipole, Da:	2.22
IP(EA), eV:	-8.99(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CCCN(C1CCS(=O)(=O)C1)C(=O)C(C)N2CCCOC(C2)C

DOS

IR

Vibrations