Geometry & MOs

Info

ID:	174822
PubChem CID:	75819698
Reduced:	SO2N5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	361.169822
ΔH_f, kcal/mol:	-1.88
Dipole, Da:	2.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752097
Charge, e:	1

Chem-info

IUPAC name:

1-(2-ethoxypyridin-3-yl)-3-(2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl)urea

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)NC(=O)NCC(C2=CC=CS2)N3CC[NH+](CC3)C

DOS

IR

Vibrations