Geometry & MOs

Info

ID:

326132

PubChem CID:

126686652

Reduced:

N2O2S2H13C18 (2)

Stoich.:

A2B2C2D13E18 (2)

Weight, g/mol:

405.107102

ΔHf, kcal/mol:

18.62

Dipole, Da:

10.16

IP(EA), eV:

 -8.07(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-6-[[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CSC(=C2NC(=O)C3=CC=CC=C3)SSC4=C(C(=CS4)NC(=O)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations