Geometry & MOs

Info

ID:	244963
PubChem CID:	99431687
Reduced:	SO2N5C27H33 (1)
Stoich.:	AB2C5D27E33 (1)
Weight, g/mol:	493.07678
ΔH_f, kcal/mol:	-33.95
Dipole, Da:	3.81
IP(EA), eV:	-8.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-[2-(2-bromo-4-chlorophenoxy)acetyl]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