Geometry & MOs

Info

ID:	308220
PubChem CID:	125321798
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	429.243281
ΔH_f, kcal/mol:	33.68
Dipole, Da:	8.62
IP(EA), eV:	-8.87(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[[4-(dimethylamino)phenyl]-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-phenylmethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)[C@@H]3[C@H]4C(=C5C=CC=CC5=N4)CCN3)O

DOS

IR

Vibrations