Geometry & MOs

Info

ID:

318525

PubChem CID:

126651664

Reduced:

N11H111C165 (1)

Stoich.:

A11B111C165 (1)

Weight, g/mol:

705.437729

ΔHf, kcal/mol:

780.42

Dipole, Da:

4.74

IP(EA), eV:

 -7.9(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[bis(1,1-dideuterioethyl)amino]-1,1,2,2-tetradeuterioethyl]-2,2-dideuterio-2-[2-[dideuterio-(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]sulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[dideuterio-[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C/C=C/C1=CC=CC=C1N(C2=CC=CC=C2)N(C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C(C)C=C)C8=CC=CC(=C8)C9=NC1=C(C=C(C=C1)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)N=C9C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations