Geometry & MOs

Info

ID:

45178

PubChem CID:

10508767

Reduced:

O3C46H82 (1)

Stoich.:

A3B46C82 (1)

Weight, g/mol:

688.228162

ΔHf, kcal/mol:

-309.16

Dipole, Da:

1.45

IP(EA), eV:

 -9.53(1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[1-hydroxy-2-[[2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-pyridin-4-ylpyrimidin-1-yl]acetyl]amino]-3-phenylpropyl]-1,3-benzoxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@@H]5CC(CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)(C)C)O)C

DOS

IR

Vibrations