Geometry & MOs

Info

ID:	237094
PubChem CID:	92717236
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	428.069448
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	4.1
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate

Drug info:

PubChemData

Smile

CN1C[C@H](CC1=O)C2=NC3=CC=CC=C3N2CCN4CCOCC4

DOS

IR

Vibrations