Geometry & MOs

Info

ID:	66311
PubChem CID:	46504202
Reduced:	ClOS2N3C22H30 (1)
Stoich.:	ABC2D3E22F30 (1)
Weight, g/mol:	423.120583
ΔH_f, kcal/mol:	-2.45
Dipole, Da:	7.94
IP(EA), eV:	-8.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-1-(3-pyrrolidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations