Geometry & MOs

Info

ID:	76035
PubChem CID:	48424332
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	349.163771
ΔH_f, kcal/mol:	-143.03
Dipole, Da:	7.55
IP(EA), eV:	-9.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(methoxycarbonylamino)-3-phenylpropanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)CS(=O)(=O)C)OCC2CC2

DOS

IR

Vibrations