Geometry & MOs

Info

ID:	418731
PubChem CID:	135106652
Reduced:	ClFSN2O4C14H18 (1)
Stoich.:	ABCD2E4F14G18 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-201.1
Dipole, Da:	2.93
IP(EA), eV:	-9.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-phenylpyrimidin-5-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations