Geometry & MOs

Info

ID:

307434

PubChem CID:

125299937

Reduced:

ClSN2O3C21H23 (1)

Stoich.:

ABC2D3E21F23 (1)

Weight, g/mol:

963.436742

ΔHf, kcal/mol:

-90.85

Dipole, Da:

3.41

IP(EA), eV:

 -9.28(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(=O)N([C@H]3[C@H]2CS(=O)(=O)C3)C4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations