Geometry & MOs

Info

ID:	364344
PubChem CID:	127315484
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	2.12
IP(EA), eV:	-8.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCCC3C(=O)N4CCSCC4)C

DOS

IR

Vibrations