Geometry & MOs

Info

ID:	28807
PubChem CID:	829753
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	339.079284
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	3.33
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-N-(2,4-dichlorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@@](C1(C)C)(CC2=O)C(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations