Geometry & MOs

Info

ID:	243458
PubChem CID:	99224106
Reduced:	N5O5C26H29 (1)
Stoich.:	A5B5C26D29 (1)
Weight, g/mol:	497.149968
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	3.42
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[2-chloro-5-(dimethylsulfamoyl)anilino]-3-oxopropyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)CC(=O)N3[C@@H](CC(=N3)C4=CC=C(C=C4)OC)C5=CC=CO5

DOS

IR

Vibrations