Geometry & MOs

Info

ID:	74407
PubChem CID:	48421826
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-57.13
Dipole, Da:	2.55
IP(EA), eV:	-9.08(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)OCC2CC2

DOS

IR

Vibrations