Geometry & MOs

Info

ID:	237080
PubChem CID:	92717174
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	415.078677
ΔH_f, kcal/mol:	-42.71
Dipole, Da:	6.06
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@H]3CC(=O)N(C3)CCOC

DOS

IR

Vibrations