Geometry & MOs

Info

ID:	352813
PubChem CID:	127283902
Reduced:	ClSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	1.55
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclohexyl)carbamoyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations