Geometry & MOs

Info

ID:	185152
PubChem CID:	77262227
Reduced:	NCl2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	475.211864
ΔH_f, kcal/mol:	-174.01
Dipole, Da:	4.97
IP(EA), eV:	-8.87(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-fluoro-1,3-benzoxazol-2-yl)-2-oxopropyl] N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate

Drug info:

PubChemData

Smile

CC=CC(CNC)OC1=C(C(=CC=C1)Cl)Cl.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations