Geometry & MOs

Info

ID:	342312
PubChem CID:	127265089
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	5.8
IP(EA), eV:	-9.67(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C(C2CC2)NC(=O)C=CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations