Geometry & MOs

Info

ID:	431666
PubChem CID:	135171762
Reduced:	SO2F3N4C25H35 (1)
Stoich.:	AB2C3D4E25F35 (1)
Weight, g/mol:	681.238607
ΔH_f, kcal/mol:	-218.06
Dipole, Da:	7.75
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[2-[3-acetyl-6-(diethoxyphosphorylmethoxy)-5-pyrimidin-5-ylindol-1-yl]acetyl]-1,1-dimethyl-N-pyridin-2-ylthiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations