Geometry & MOs

Info

ID:	223574
PubChem CID:	85335257
Reduced:	Cl2O2N5C20H29 (1)
Stoich.:	A2B2C5D20E29 (1)
Weight, g/mol:	438.14924
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	2.83
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl]-3-[2-(1H-pyrrol-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCCOCCCCCN1C=NC2C1C(=O)NC(N2)NCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations