Geometry & MOs

Info

ID:	50777
PubChem CID:	12013365
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	380.132527
ΔH_f, kcal/mol:	-86.63
Dipole, Da:	3.38
IP(EA), eV:	-9.09(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CSCC(=O)N1CC2=CC=CC=C2)C(=O)NC3CCCCC3

DOS

IR

Vibrations