Geometry & MOs

Info

ID:	223991
PubChem CID:	85336650
Reduced:	ON8C22H34 (1)
Stoich.:	AB8C22D34 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	20.75
Dipole, Da:	4.51
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(1,3-thiazol-2-yl)methyl]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=CC(=N2)N3CC(N(C(C3)C)C4=NC(=NC=C4)C(C)O)C

DOS

IR

Vibrations