Geometry & MOs

Info

ID:	84477
PubChem CID:	49866683
Reduced:	NSO2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	468.123243
ΔH_f, kcal/mol:	-80.23
Dipole, Da:	5.31
IP(EA), eV:	-9.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3R,4S)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-1-phosphonooxypentan-3-yl] benzenecarbothioate

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)O)/N)/S

DOS

IR

Vibrations