Geometry & MOs

Info

ID:

310406

PubChem CID:

126579885

Reduced:

P2N4O17C83H166 (1)

Stoich.:

A2B4C17D83E166 (1)

Weight, g/mol:

656.451286

ΔHf, kcal/mol:

-1237.78

Dipole, Da:

5.37

IP(EA), eV:

 -9.71(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2R)-2-[[[(1S)-1-cyclohexyl-2-[methyl-[(2R)-1-[[(3R)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]methyl]-3,4-dihydro-2H-chromen-8-yl]propyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(=O)(O)OCCNC(NCCOP(=O)(O)OC[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC)O

DOS

IR

Vibrations