Geometry & MOs

Info

ID:	432608
PubChem CID:	135172744
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-185.48
Dipole, Da:	8.3
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCC2=C(C=C(C=C2)O)O)C34CC5CC(C3)CC4C5)OC

DOS

IR

Vibrations