Geometry & MOs

Info

ID:	279417
PubChem CID:	103843882
Reduced:	N2O2S2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	3.86
IP(EA), eV:	-9.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CSC(=N1)C2=CSC=C2)CO

DOS

IR

Vibrations