Geometry & MOs

Info

ID:	425608
PubChem CID:	135126939
Reduced:	PN4O4C16H23 (1)
Stoich.:	AB4C4D16E23 (1)
Weight, g/mol:	388.118985
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	6.81
IP(EA), eV:	-8.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) (4S)-3-ethyl-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](N2C[C@@H]1N(C2=O)OCC3=CC=CC=C3)C(=O)NOCCNP

DOS

IR

Vibrations