Geometry & MOs

Info

ID:	214232
PubChem CID:	84974729
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	371.067284
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	6.49
IP(EA), eV:	-9.35(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C=CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations