Geometry & MOs

Info

ID:

314031

PubChem CID:

126619781

Reduced:

ClS2O7N11C58H64 (1)

Stoich.:

AB2C7D11E58F64 (1)

Weight, g/mol:

507.236936

ΔHf, kcal/mol:

-120.27

Dipole, Da:

8.94

IP(EA), eV:

 -9.28(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl 2-[2-[2-[4-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phenyl]pyrimidin-5-yl]oxyethoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)N[C@@H](C)C4=CC=C(C=C4)C5=NC=C(C=N5)OCCOCC(=O)N[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)C)C9=CC=C(C=C9)Cl)C

DOS

IR

Vibrations