Geometry & MOs

Info

ID:	352819
PubChem CID:	127283908
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	3.05
IP(EA), eV:	-9.03(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethylphenyl)ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC(=O)NC2CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations