Geometry & MOs

Info

ID:

425667

PubChem CID:

135127277

Reduced:

SN6O6C40H48 (1)

Stoich.:

AB6C6D40E48 (1)

Weight, g/mol:

438.098705

ΔHf, kcal/mol:

-143.27

Dipole, Da:

8.72

IP(EA), eV:

 -8.29(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC(CC(=O)O)C6=CC=NC=C6)C

DOS

IR

Vibrations