Geometry & MOs

Info

ID:	244958
PubChem CID:	99431666
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	391.229348
ΔH_f, kcal/mol:	-173.06
Dipole, Da:	6.61
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3S)-1-[3-(2-methylpropylsulfanyl)propanoyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)COC3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations