Geometry & MOs

Info

ID:

16895

PubChem CID:

478752

Reduced:

SN10O10C39H48 (1)

Stoich.:

AB10C10D39E48 (1)

Weight, g/mol:

848.327559

ΔHf, kcal/mol:

-312.67

Dipole, Da:

7.46

IP(EA), eV:

 -9.57(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(N(C(=O)NC1=O)CC2CC=CC2)C(=O)C3=CC(=CC(=C3)C)C.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N

DOS

IR

Vibrations