Geometry & MOs

Info

ID:	244962
PubChem CID:	99431686
Reduced:	SO2N5C27H33 (1)
Stoich.:	AB2C5D27E33 (1)
Weight, g/mol:	491.235497
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	4.19
IP(EA), eV:	-8.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-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)CSC3=NC=CN3C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations