Geometry & MOs

Info

ID:	214257
PubChem CID:	84974797
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	-112.08
Dipole, Da:	0.29
IP(EA), eV:	-8.66(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations