Geometry & MOs

Info

ID:	135369
PubChem CID:	51861681
Reduced:	O2S2N4H11C15 (1)
Stoich.:	A2B2C4D11E15 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	85.56
Dipole, Da:	4.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883223
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC2=C(N=C(N=N2)SCC(=O)C3=CC=CS3)[O-]

DOS

IR

Vibrations