Geometry & MOs

Info

ID:	54230
PubChem CID:	16955352
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	458.117939
ΔH_f, kcal/mol:	-141.19
Dipole, Da:	4.33
IP(EA), eV:	-8.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C2=CSC(=N2)NC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations