Geometry & MOs

Info

ID:	394845
PubChem CID:	135023938
Reduced:	PN2O9C11H16 (1)
Stoich.:	AB2C9D11E16 (1)
Weight, g/mol:	337.150036
ΔH_f, kcal/mol:	-368.61
Dipole, Da:	6.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760489
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylphenyl)-3-phenylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

COC[C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=O)O)OP(=O)([O-])OC

DOS

IR

Vibrations