Geometry & MOs

Info

ID:	214234
PubChem CID:	84974739
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	372.092163
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	4.18
IP(EA), eV:	-9.65(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C=CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations