Geometry & MOs

Info

ID:	158800
PubChem CID:	56479307
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	468.219512
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	3.92
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[1-[1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carbonyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3=CSC(=N3)C4=CC=CC=C4OC

DOS

IR

Vibrations