Geometry & MOs

Info

ID:	156329
PubChem CID:	56370101
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	450.175933
ΔH_f, kcal/mol:	-108.76
Dipole, Da:	5.8
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCCOC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations