Geometry & MOs

Info

ID:	346820
PubChem CID:	127271324
Reduced:	SN2O4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-212.25
Dipole, Da:	4.38
IP(EA), eV:	-9.18(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-3-(1-cyclopropylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

DOS

IR

Vibrations