Geometry & MOs

Info

ID:	122180
PubChem CID:	50797001
Reduced:	ClO2N5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	24.93
Dipole, Da:	1.75
IP(EA), eV:	-8.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)carbamoyl]phenyl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN3C=CN=C(C3=C2)N4CCC(CC4)C(=O)NCC5=CC(=CC=C5)Cl

DOS

IR

Vibrations