Geometry & MOs

Info

ID:	140979
PubChem CID:	52793843
Reduced:	ClSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	348.04734
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	7.93
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CSC1=NC(=C2N1C=CC=C2)C(=O)OCC(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations