Geometry & MOs

Info

ID:	345823
PubChem CID:	127270123
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	3.76
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]butanamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations