Geometry & MOs

Info

ID:	175160
PubChem CID:	75862569
Reduced:	SN3O5C22H36 (1)
Stoich.:	AB3C5D22E36 (1)
Weight, g/mol:	416.200788
ΔH_f, kcal/mol:	-188.31
Dipole, Da:	6.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753318
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(oxolan-3-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-[4-(thiophen-2-ylmethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(CC[NH+](C)C)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations