Geometry & MOs

Info

ID:	75678
PubChem CID:	48423836
Reduced:	ClNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	3.3
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-[(1-methylpyrazole-4-carbonyl)amino]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(S1)Cl)OCC2CC2

DOS

IR

Vibrations