Geometry & MOs

Info

ID:	74509
PubChem CID:	48421978
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	369.135842
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	2.07
IP(EA), eV:	-8.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations