Geometry & MOs

Info

ID:

329084

PubChem CID:

126731193

Reduced:

PCl2F2N3O7H18C19 (1)

Stoich.:

AB2C2D3E7F18G19 (1)

Weight, g/mol:

691.221871

ΔHf, kcal/mol:

-412.96

Dipole, Da:

4.32

IP(EA), eV:

 -10.04(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[[[(2R,3R)-4,4-difluoro-3-hydroxy-5-[4-[(2-methyl-2,3-dihydro-1H-indole-6-carbonyl)amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)OP1(=O)OC[C@@H]2[C@@H](O1)C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC(=C(C=C4)Cl)Cl)(F)F

DOS

IR

Vibrations