Geometry & MOs

Info

ID:	245228
PubChem CID:	99437958
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-91.06
Dipole, Da:	2.45
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3R)-1-[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations