Geometry & MOs

Info

ID:	214233
PubChem CID:	84974737
Reduced:	ClN3O4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	3.51
IP(EA), eV:	-9.3(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C=CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations