Geometry & MOs

Info

ID:	357351
PubChem CID:	127293984
Reduced:	S2O3N4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-14.73
Dipole, Da:	4.96
IP(EA), eV:	-8.66(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)C2CSCN2C(=O)C3=CC=C(C=C3)C4=NOC=N4

DOS

IR

Vibrations