Geometry & MOs

Info

ID:	60792
PubChem CID:	26702255
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	436.082599
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	1.23
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorobenzoyl)amino]phenyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCCNC(=O)C3=CSC=C3

DOS

IR

Vibrations