Geometry & MOs

Info

ID:	156259
PubChem CID:	56369852
Reduced:	BrSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	351.117211
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	3.31
IP(EA), eV:	-9.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[1-(3-chlorophenyl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)NCCNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations