Geometry & MOs

Info

ID:	359496
PubChem CID:	127298770
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-16.82
Dipole, Da:	4.05
IP(EA), eV:	-8.99(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(phenyl)methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NN=C(O2)C3=CC(=CC=C3)Cl)C(=O)N4CCSCC4

DOS

IR

Vibrations