Geometry & MOs

Info

ID:	218928
PubChem CID:	85090192
Reduced:	ClSN2O5C27H31 (1)
Stoich.:	ABC2D5E27F31 (1)
Weight, g/mol:	531.20055
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	8.66
IP(EA), eV:	-8.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(4-nitrophenyl)-2-[2-oxo-4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(=C(C=C2S(=O)(=O)NC3=CC(=C(C=C3)Cl)OC4CCN(C4)C)OC)OC)C

DOS

IR

Vibrations