Geometry & MOs

Info

ID:	237103
PubChem CID:	92717332
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	357.113171
ΔH_f, kcal/mol:	39.19
Dipole, Da:	6.26
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)N[C@H](C3=CC=CC=C3)C(=O)OC)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations