Geometry & MOs

Info

ID:	68237
PubChem CID:	46508027
Reduced:	ClN3O5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-194.35
Dipole, Da:	6.39
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(carbamoylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CC(C2=CC=CC=C2)NC(=O)N

DOS

IR

Vibrations