Geometry & MOs

Info

ID:	244964
PubChem CID:	99431688
Reduced:	BrClN3O3C22H25 (1)
Stoich.:	ABC3D3E22F25 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	5.87
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-[(2R)-2-(methanesulfonamido)propanoyl]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)COC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations