Geometry & MOs

Info

ID:

166651

PubChem CID:

74722377

Reduced:

SO2N3C15H24 (1)

Stoich.:

AB2C3D15E24 (1)

Weight, g/mol:

308.143273

ΔHf, kcal/mol:

-66.12

Dipole, Da:

3.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.985434

Charge, e:

 1

Chem-info

IUPAC name:

N'-cyclopropyl-N-(2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl)oxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=O)NCC(C1=CSC=C1)[NH+]2CCCC2

DOS

IR

Vibrations