Geometry & MOs

Info

ID:	244961
PubChem CID:	99431684
Reduced:	ON3C11H15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	491.235497
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	4.44
IP(EA), eV:	-8.7(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)CCCNC3=NC=CC=N3

DOS

IR

Vibrations