Geometry & MOs

Info

ID:	440994
PubChem CID:	135232612
Reduced:	SN3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	595.189508
ΔH_f, kcal/mol:	60.2
Dipole, Da:	2.66
IP(EA), eV:	-8.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CSC1=NC=C(C=C1)C2=NC(=CC=C2)N

DOS

IR

Vibrations