Geometry & MOs

Info

ID:	214241
PubChem CID:	84974761
Reduced:	N4O5C20H22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	402.102728
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	4.48
IP(EA), eV:	-9.71(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCC2C(C1)NC(=O)N2)OC(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations