Geometry & MOs

Info

ID:	126657
PubChem CID:	50972236
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	3.61
IP(EA), eV:	-8.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,3-thiazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)N(C)CC3=NOC(=C3)C

DOS

IR

Vibrations