Geometry & MOs

Info

ID:	50776
PubChem CID:	12013364
Reduced:	ClNH20C25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	81.07
Dipole, Da:	4.02
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=C(C=C3C=C(C=CC3=N2)Cl)C4=CC=C(C=C4)C

DOS

IR

Vibrations