Geometry & MOs

Info

ID:	352967
PubChem CID:	127284058
Reduced:	S2O3N4C17H26 (1)
Stoich.:	A2B3C4D17E26 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	6.22
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-oxoazepan-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CS3)C4CC4

DOS

IR

Vibrations