Geometry & MOs

Info

ID:	128070
PubChem CID:	51029962
Reduced:	FSN4O5C21H27 (1)
Stoich.:	ABC4D5E21F27 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-205.02
Dipole, Da:	5.97
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-cyclohexylphenoxy)methyl]-5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)OCC3=CC(=C(C=C3)S(=O)(=O)C)F

DOS

IR

Vibrations