Geometry & MOs

Info

ID:	156150
PubChem CID:	56369330
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	392.14376
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	4.33
IP(EA), eV:	-8.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OC2CCN(CC2)C(=O)NCC3=CSC(=N3)C(C)(C)C

DOS

IR

Vibrations