Geometry & MOs

Info

ID:	206810
PubChem CID:	80304087
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	2.07
IP(EA), eV:	-9.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C1CSC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations