Geometry & MOs

Info

ID:	195904
PubChem CID:	78746951
Reduced:	ClNO5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	360.156815
ΔH_f, kcal/mol:	-174.24
Dipole, Da:	8.4
IP(EA), eV:	-9.33(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-3-(2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl)thiourea

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations