Geometry & MOs

Info

ID:	243511
PubChem CID:	99225561
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	461.234828
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	2.74
IP(EA), eV:	-9.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations