Geometry & MOs

Info

ID:

167455

PubChem CID:

74830236

Reduced:

SO5N7C25H35 (2)

Stoich.:

AB5C7D25E35 (2)

Weight, g/mol:

822.320087

ΔHf, kcal/mol:

-383.61

Dipole, Da:

17.63

IP(EA), eV:

 -9.01(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl 4-[3-[bis(ethoxycarbonyloxymethoxy)phosphoryl]-2-[[6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CS)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCCCC(=O)NC(CS)C(=O)O)NC(=O)C

DOS

IR

Vibrations