Geometry & MOs

Info

ID:	244547
PubChem CID:	99364897
Reduced:	N2O2H11C13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	8.56
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-oxo-3-[(5-phenyl-1,2-oxazol-3-yl)methylamino]propyl]benzamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NCC2=NOC(=C2)C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations