Geometry & MOs

Info

ID:	158384
PubChem CID:	56463547
Reduced:	S2N3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	452.118812
ΔH_f, kcal/mol:	-110.63
Dipole, Da:	4.16
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=C(S3)CC(C)C)C

DOS

IR

Vibrations