Geometry & MOs

Info

ID:

379601

PubChem CID:

134449322

Reduced:

BrO2N4C23H29 (1)

Stoich.:

AB2C4D23E29 (1)

Weight, g/mol:

597.193609

ΔHf, kcal/mol:

-9.25

Dipole, Da:

7.74

IP(EA), eV:

 -8.25(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[5-amino-1-[6-(2,6-difluorocyclohexa-1,5-dien-3-yn-1-yl)oxy-4-methylpyridin-3-yl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]-3-hydroxy-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

Drug info:

PubChemData

Smile

CC(C)N1CCCC(CC1)OC2=C(C=C3C(=C2)C=C(N3)C(=O)/C(=C/N(C)C)/C#N)Br

DOS

IR

Vibrations