Geometry & MOs

Info

ID:	165780
PubChem CID:	74597610
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	428.150285
ΔH_f, kcal/mol:	17.64
Dipole, Da:	4.73
IP(EA), eV:	-9.01(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[(2-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CN2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C

DOS

IR

Vibrations