Geometry & MOs

Info

ID:	156257
PubChem CID:	56369848
Reduced:	BrO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	456.105661
ΔH_f, kcal/mol:	-51.7
Dipole, Da:	2.41
IP(EA), eV:	-9.25(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)Br

DOS

IR

Vibrations